PubChemLite - Cvt-2759 (C17H24N6O6)

Structural Information

Molecular Formula

SMILES

CCNC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N[C@@H]4CCOC4)O)O

InChI

InChI=1S/C17H24N6O6/c1-2-18-17(26)28-6-10-12(24)13(25)16(29-10)23-8-21-11-14(19-7-20-15(11)23)22-9-3-4-27-5-9/h7-10,12-13,16,24-25H,2-6H2,1H3,(H,18,26)(H,19,20,22)/t9-,10-,12-,13-,16-/m1/s1

InChIKey

OBAAIGREYDUOHX-ZGOQAQPGSA-N

Compound name

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(3R)-oxolan-3-yl]amino]purin-9-yl]oxolan-2-yl]methyl N-ethylcarbamate

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]+	409.18300	188.4
[M+Na]+	431.16494	193.1
[M-H]-	407.16844	194.2
[M+NH4]+	426.20954	195.1
[M+K]+	447.13888	192.8
[M+H-H2O]+	391.17298	180.3
[M+HCOO]-	453.17392	203.1
[M+CH3COO]-	467.18957	196.5
[M+Na-2H]-	429.15039	186.4
[M]+	408.17517	190.5
[M]-	408.17627	190.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.18300

188.4

[M+Na]+

431.16494

193.1

[M-H]-

407.16844

194.2

[M+NH4]+

426.20954

195.1

[M+K]+

447.13888

192.8

[M+H-H2O]+

391.17298

180.3

[M+HCOO]-

453.17392

203.1

[M+CH3COO]-

467.18957

196.5

[M+Na-2H]-

429.15039

186.4

[M]+

408.17517

190.5

[M]-

408.17627

190.5

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

Cvt-2759

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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