CID 5493436

36918-78-2

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]+ 233.06693 145.4
[M+Na]+ 255.04887 151.4
[M-H]- 231.05237 148.8
[M+NH4]+ 250.09347 159.9
[M+K]+ 271.02281 144.2
[M+H-H2O]+ 215.05691 141.5
[M+HCOO]- 277.05785 169.3
[M+CH3COO]- 291.07350 181.1
[M+Na-2H]- 253.03432 153.3
[M]+ 232.05910 141.2
[M]- 232.06020 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.