CID 28061

Ornidazole

Structural Information

Molecular Formula
C7H10ClN3O3
SMILES
CC1=NC=C(N1CC(CCl)O)[N+](=O)[O-]
InChI
InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3
InChIKey
IPWKIXLWTCNBKN-UHFFFAOYSA-N
Compound name
1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

559
References

6914
Patents

219.04106 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.04834 144.1
[M+Na]+ 242.03028 152.3
[M-H]- 218.03378 144.0
[M+NH4]+ 237.07488 161.1
[M+K]+ 258.00422 145.6
[M+H-H2O]+ 202.03832 142.7
[M+HCOO]- 264.03926 161.6
[M+CH3COO]- 278.05491 178.2
[M+Na-2H]- 240.01573 148.9
[M]+ 219.04051 144.8
[M]- 219.04161 144.8
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