CID 6481792

N-[3-(imidazol-1-ylmethyl)phenyl]-3-nitro-benzamide

Structural Information

Molecular Formula
C17H14N4O3
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CN3C=CN=C3
InChI
InChI=1S/C17H14N4O3/c22-17(14-4-2-6-16(10-14)21(23)24)19-15-5-1-3-13(9-15)11-20-8-7-18-12-20/h1-10,12H,11H2,(H,19,22)
InChIKey
NRLPXMTXTPINDJ-UHFFFAOYSA-N
Compound name
N-[3-(imidazol-1-ylmethyl)phenyl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1066 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.11388 171.6
[M+Na]+ 345.09582 176.6
[M-H]- 321.09932 179.1
[M+NH4]+ 340.14042 182.7
[M+K]+ 361.06976 168.1
[M+H-H2O]+ 305.10386 165.6
[M+HCOO]- 367.10480 195.7
[M+CH3COO]- 381.12045 202.0
[M+Na-2H]- 343.08127 177.9
[M]+ 322.10605 169.4
[M]- 322.10715 169.4
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.