CID 446492

Phosporic acid mono-[3,4-dihydroxy-5-(5-methoxy-benzoimidazol-1-yl)-tetrahydro-furan-2-ylmethyl] ester

Structural Information

Molecular Formula
C13H17N2O8P
SMILES
COC1=CC2=C(C=C1)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI
InChI=1S/C13H17N2O8P/c1-21-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(23-13)5-22-24(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1
InChIKey
VYUPJUKSTVHSQI-LPWJVIDDSA-N
Compound name
[(2R,3S,4R,5S)-3,4-dihydroxy-5-(5-methoxybenzimidazol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.07227 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07955 175.7
[M+Na]+ 383.06149 182.8
[M-H]- 359.06499 176.4
[M+NH4]+ 378.10609 186.5
[M+K]+ 399.03543 182.6
[M+H-H2O]+ 343.06953 167.6
[M+HCOO]- 405.07047 195.2
[M+CH3COO]- 419.08612 203.9
[M+Na-2H]- 381.04694 175.4
[M]+ 360.07172 180.2
[M]- 360.07282 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.