CID 689161

N-[4-(aminocarbonyl)phenyl]-4-nitrobenzamide

Structural Information

Molecular Formula
C14H11N3O4
SMILES
C1=CC(=CC=C1C(=O)N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H11N3O4/c15-13(18)9-1-5-11(6-2-9)16-14(19)10-3-7-12(8-4-10)17(20)21/h1-8H,(H2,15,18)(H,16,19)
InChIKey
FANLHXKNWWSLIG-UHFFFAOYSA-N
Compound name
4-[(4-nitrobenzoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

285.07495 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.082226 160.2
[M+Na]+ 308.064168 164.8
[M-H]- 284.067674 166.5
[M+NH4]+ 303.108773 173.3
[M+K]+ 324.038108 158.0
[M+H-H2O]+ 268.072210 156.3
[M+HCOO]- 330.073151 185.6
[M+CH3COO]- 344.088801 198.0
[M+Na-2H]- 306.049616 165.5
[M]+ 285.07440142 156.3
[M]- 285.07549858 156.3
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