PubChemLite - 7n-methyl-8-hydroguanosine-5'-monophosphate (C11H18N5O8P)

Structural Information

Molecular Formula

SMILES

CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C11H18N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1

InChIKey

ZMWJGXGSWZFZPJ-KQYNXXCUSA-N

Compound name

[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1,8-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]+	380.09658	183.1
[M+Na]+	402.07852	189.0
[M-H]-	378.08202	179.8
[M+NH4]+	397.12312	189.2
[M+K]+	418.05246	188.1
[M+H-H2O]+	362.08656	174.4
[M+HCOO]-	424.08750	196.4
[M+CH3COO]-	438.10315	210.8
[M+Na-2H]-	400.06397	179.5
[M]+	379.08875	181.5
[M]-	379.08985	181.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

380.09658

183.1

[M+Na]+

402.07852

189.0

[M-H]-

378.08202

179.8

[M+NH4]+

397.12312

189.2

[M+K]+

418.05246

188.1

[M+H-H2O]+

362.08656

174.4

[M+HCOO]-

424.08750

196.4

[M+CH3COO]-

438.10315

210.8

[M+Na-2H]-

400.06397

179.5

[M]+

379.08875

181.5

[M]-

379.08985

181.5

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

7n-methyl-8-hydroguanosine-5'-monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe