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

literature stripe

Patent stripe

patents stripe