PubChemLite - Galidesivir (C11H15N5O3)

Structural Information

Molecular Formula

SMILES

C1=C(C2=C(N1)C(=NC=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O

InChI

InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1

InChIKey

AMFDITJFBUXZQN-KUBHLMPHSA-N

Compound name

(2S,3S,4R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol

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]+	266.12478	158.8
[M+Na]+	288.10672	167.8
[M-H]-	264.11022	156.3
[M+NH4]+	283.15132	171.2
[M+K]+	304.08066	161.7
[M+H-H2O]+	248.11476	151.6
[M+HCOO]-	310.11570	172.4
[M+CH3COO]-	324.13135	168.0
[M+Na-2H]-	286.09217	158.9
[M]+	265.11695	153.8
[M]-	265.11805	153.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

266.12478

158.8

[M+Na]+

288.10672

167.8

[M-H]-

264.11022

156.3

[M+NH4]+

283.15132

171.2

[M+K]+

304.08066

161.7

[M+H-H2O]+

248.11476

151.6

[M+HCOO]-

310.11570

172.4

[M+CH3COO]-

324.13135

168.0

[M+Na-2H]-

286.09217

158.9

[M]+

265.11695

153.8

[M]-

265.11805

153.8

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

Galidesivir

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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