PubChemLite - 7,8-dihydro-8-oxo-guanosine 5'-phosphate (C10H14N5O9P)

Structural Information

Molecular Formula

SMILES

C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)O

InChI

InChI=1S/C10H14N5O9P/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(24-8)1-23-25(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H2,20,21,22)(H3,11,13,14,18)/t2-,4-,5-,8-/m1/s1

InChIKey

MDSQIQSLWQTQDK-UMMCILCDSA-N

Compound name

[(2R,3S,4R,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen 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]+	380.06020	179.2
[M+Na]+	402.04214	184.2
[M+NH4]+	397.08674	178.0
[M+K]+	418.01608	191.8
[M-H]-	378.04564	174.3
[M+Na-2H]-	400.02759	175.2
[M]+	379.05237	177.3
[M]-	379.05347	177.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

380.06020

179.2

[M+Na]+

402.04214

184.2

[M+NH4]+

397.08674

178.0

[M+K]+

418.01608

191.8

[M-H]-

378.04564

174.3

[M+Na-2H]-

400.02759

175.2

[M]+

379.05237

177.3

[M]-

379.05347

177.3

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

7,8-dihydro-8-oxo-guanosine 5'-phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe