PubChemLite - Guanosine 5'-diphosphate 2':3'-cyclic monophosphate (C10H14N5O13P3)

Structural Information

Molecular Formula

SMILES

C1=NC2=C(N1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N

InChI

InChI=1S/C10H14N5O13P3/c11-10-13-7-4(8(16)14-10)12-2-15(7)9-6-5(26-31(22,23)27-6)3(25-9)1-24-30(20,21)28-29(17,18)19/h2-3,5-6,9H,1H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,11,13,14,16)/t3-,5-,6-,9-/m1/s1

InChIKey

NGYWTCOGOZELRS-UUOKFMHZSA-N

Compound name

[(3aR,4R,6R,6aR)-4-(2-amino-6-oxo-1H-purin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl phosphono hydrogen phosphate

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]+	505.98738	188.1
[M+Na]+	527.96932	191.5
[M-H]-	503.97282	183.4
[M+NH4]+	523.01392	188.1
[M+K]+	543.94326	194.6
[M+H-H2O]+	487.97736	178.6
[M+HCOO]-	549.97830	190.9
[M+CH3COO]-	563.99395	231.4
[M+Na-2H]-	525.95477	179.7
[M]+	504.97955	178.2
[M]-	504.98065	178.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.98738

188.1

[M+Na]+

527.96932

191.5

[M-H]-

503.97282

183.4

[M+NH4]+

523.01392

188.1

[M+K]+

543.94326

194.6

[M+H-H2O]+

487.97736

178.6

[M+HCOO]-

549.97830

190.9

[M+CH3COO]-

563.99395

231.4

[M+Na-2H]-

525.95477

179.7

[M]+

504.97955

178.2

[M]-

504.98065

178.2

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

Guanosine 5'-diphosphate 2':3'-cyclic monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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