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 146.2
[M+Na]+ 255.04887 157.6
[M+NH4]+ 250.09347 152.4
[M+K]+ 271.02281 157.6
[M-H]- 231.05237 149.0
[M+Na-2H]- 253.03432 153.0
[M]+ 232.05910 148.1
[M]- 232.06020 148.1
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.