PubChemLite - 6-thioguanosine monophosphate (C10H14N5O7PS)

Structural Information

Molecular Formula

SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=NC2=S)N

InChI

InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1

InChIKey

BPZXYEUJBFHASJ-UUOKFMHZSA-N

Compound name

[(2R,3S,4R,5R)-5-(2-amino-6-sulfanylidene-3H-purin-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]+	380.04244	180.2
[M+Na]+	402.02438	185.9
[M+NH4]+	397.06898	181.1
[M+K]+	417.99832	189.7
[M-H]-	378.02788	177.1
[M+Na-2H]-	400.00983	177.6
[M]+	379.03461	179.6
[M]-	379.03571	179.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

380.04244

180.2

[M+Na]+

402.02438

185.9

[M+NH4]+

397.06898

181.1

[M+K]+

417.99832

189.7

[M-H]-

378.02788

177.1

[M+Na-2H]-

400.00983

177.6

[M]+

379.03461

179.6

[M]-

379.03571

179.6

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

6-thioguanosine monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe