CID 71407

Bamnidazole

Structural Information

Molecular Formula
C7H10N4O4
SMILES
CC1=NC=C(N1CCOC(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C7H10N4O4/c1-5-9-4-6(11(13)14)10(5)2-3-15-7(8)12/h4H,2-3H2,1H3,(H2,8,12)
InChIKey
JOVXEDBYAWFQQX-UHFFFAOYSA-N
Compound name
2-(2-methyl-5-nitroimidazol-1-yl)ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

172
Patents

214.0702 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07748 142.0
[M+Na]+ 237.05942 149.6
[M-H]- 213.06292 143.4
[M+NH4]+ 232.10402 158.5
[M+K]+ 253.03336 144.9
[M+H-H2O]+ 197.06746 139.2
[M+HCOO]- 259.06840 166.6
[M+CH3COO]- 273.08405 181.5
[M+Na-2H]- 235.04487 147.8
[M]+ 214.06965 141.7
[M]- 214.07075 141.7
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