PubChemLite - 7-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]-n-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide (C15H21N5O5)

Structural Information

Molecular Formula

SMILES

C[C@]1([C@@H]([C@H](O[C@H]1N2C=C(C3=C(N=CN=C32)NC)C(=O)NC)CO)O)O

InChI

InChI=1S/C15H21N5O5/c1-15(24)10(22)8(5-21)25-14(15)20-4-7(13(23)17-3)9-11(16-2)18-6-19-12(9)20/h4,6,8,10,14,21-22,24H,5H2,1-3H3,(H,17,23)(H,16,18,19)/t8-,10-,14-,15-/m1/s1

InChIKey

ZGLFUXPZSWFJIJ-FTTKWNSESA-N

Compound name

7-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.16155	178.2
[M+Na]+	374.14349	186.8
[M-H]-	350.14699	180.8
[M+NH4]+	369.18809	190.5
[M+K]+	390.11743	184.3
[M+H-H2O]+	334.15153	171.5
[M+HCOO]-	396.15247	194.8
[M+CH3COO]-	410.16812	212.4
[M+Na-2H]-	372.12894	179.7
[M]+	351.15372	180.7
[M]-	351.15482	180.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

352.16155

178.2

[M+Na]+

374.14349

186.8

[M-H]-

350.14699

180.8

[M+NH4]+

369.18809

190.5

[M+K]+

390.11743

184.3

[M+H-H2O]+

334.15153

171.5

[M+HCOO]-

396.15247

194.8

[M+CH3COO]-

410.16812

212.4

[M+Na-2H]-

372.12894

179.7

[M]+

351.15372

180.7

[M]-

351.15482

180.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

7-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]-n-methyl-4-(methylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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