CID 5493436

Benzamide, n-(2-imidazolyl)-4-nitro-

Structural Information

Molecular Formula
C10H8N4O3
SMILES
C1=CC(=CC=C1C(=O)NC2=NC=CN2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N4O3/c15-9(13-10-11-5-6-12-10)7-1-3-8(4-2-7)14(16)17/h1-6H,(H2,11,12,13,15)
InChIKey
KFDZTHIWFNKNAO-UHFFFAOYSA-N
Compound name
N-(1H-imidazol-2-yl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05965 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.066926 145.4
[M+Na]+ 255.048868 151.4
[M-H]- 231.052374 148.8
[M+NH4]+ 250.093473 159.9
[M+K]+ 271.022808 144.2
[M+H-H2O]+ 215.056910 141.5
[M+HCOO]- 277.057851 169.3
[M+CH3COO]- 291.073501 181.1
[M+Na-2H]- 253.034316 153.3
[M]+ 232.05910142 141.2
[M]- 232.06019858 141.2
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.