PubChemLite - 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamidine (C14H20N6O4)

Structural Information

Molecular Formula

SMILES

CN(C)C1=NC=NC2=C1C(=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=N)N

InChI

InChI=1S/C14H20N6O4/c1-19(2)12-8-6(11(15)16)3-20(13(8)18-5-17-12)14-10(23)9(22)7(4-21)24-14/h3,5,7,9-10,14,21-23H,4H2,1-2H3,(H3,15,16)/t7-,9-,10-,14-/m1/s1

InChIKey

FLNGBEFIKLLBMK-AKAIJSEGSA-N

Compound name

7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carboximidamide

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]+	337.16188	177.0
[M+Na]+	359.14382	184.4
[M-H]-	335.14732	180.6
[M+NH4]+	354.18842	187.9
[M+K]+	375.11776	182.4
[M+H-H2O]+	319.15186	169.3
[M+HCOO]-	381.15280	194.7
[M+CH3COO]-	395.16845	216.4
[M+Na-2H]-	357.12927	176.3
[M]+	336.15405	177.0
[M]-	336.15515	177.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

337.16188

177.0

[M+Na]+

359.14382

184.4

[M-H]-

335.14732

180.6

[M+NH4]+

354.18842

187.9

[M+K]+

375.11776

182.4

[M+H-H2O]+

319.15186

169.3

[M+HCOO]-

381.15280

194.7

[M+CH3COO]-

395.16845

216.4

[M+Na-2H]-

357.12927

176.3

[M]+

336.15405

177.0

[M]-

336.15515

177.0

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

7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(dimethylamino)pyrrolo[2,3-d]pyrimidine-5-carboxamidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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