CID 469422

22423-42-3

Structural Information

Molecular Formula
C12H13ClN2O4
SMILES
C1=CC=C2C(=C1)N=C(N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl
InChI
InChI=1S/C12H13ClN2O4/c13-12-14-6-3-1-2-4-7(6)15(12)11-10(18)9(17)8(5-16)19-11/h1-4,8-11,16-18H,5H2/t8-,9-,10-,11-/m1/s1
InChIKey
INKPVXRUWGSVMM-GWOFURMSSA-N
Compound name
(2R,3R,4S,5R)-2-(2-chlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

36
Patents

284.0564 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06368 159.9
[M+Na]+ 307.04562 171.0
[M-H]- 283.04912 163.1
[M+NH4]+ 302.09022 175.8
[M+K]+ 323.01956 166.5
[M+H-H2O]+ 267.05366 154.5
[M+HCOO]- 329.05460 172.8
[M+CH3COO]- 343.07025 171.8
[M+Na-2H]- 305.03107 161.0
[M]+ 284.05585 163.2
[M]- 284.05695 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.