PubChemLite - Alpha-ribazole-5'-p (C14H19N2O7P)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1

InChIKey

ZMRGXEJKZPRBPJ-SYQHCUMBSA-N

Compound name

[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-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]+	359.10028	179.6
[M+Na]+	381.08222	187.5
[M-H]-	357.08572	180.6
[M+NH4]+	376.12682	191.0
[M+K]+	397.05616	186.3
[M+H-H2O]+	341.09026	171.8
[M+HCOO]-	403.09120	198.6
[M+CH3COO]-	417.10685	205.8
[M+Na-2H]-	379.06767	177.7
[M]+	358.09245	183.5
[M]-	358.09355	183.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

359.10028

179.6

[M+Na]+

381.08222

187.5

[M-H]-

357.08572

180.6

[M+NH4]+

376.12682

191.0

[M+K]+

397.05616

186.3

[M+H-H2O]+

341.09026

171.8

[M+HCOO]-

403.09120

198.6

[M+CH3COO]-

417.10685

205.8

[M+Na-2H]-

379.06767

177.7

[M]+

358.09245

183.5

[M]-

358.09355

183.5

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

Alpha-ribazole-5'-p

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe