CID 2851762

67368-42-7

Structural Information

Molecular Formula
C22H19N3O4
SMILES
C1=CC=C(C=C1)CC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H19N3O4/c26-21(17-9-5-2-6-10-17)24-20(15-16-7-3-1-4-8-16)22(27)23-18-11-13-19(14-12-18)25(28)29/h1-14,20H,15H2,(H,23,27)(H,24,26)
InChIKey
PZXSBPUCCSKZFZ-UHFFFAOYSA-N
Compound name
N-[1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

389.13754 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14482 189.8
[M+Na]+ 412.12676 190.3
[M-H]- 388.13026 198.1
[M+NH4]+ 407.17136 197.7
[M+K]+ 428.10070 182.5
[M+H-H2O]+ 372.13480 183.4
[M+HCOO]- 434.13574 213.1
[M+CH3COO]- 448.15139 217.7
[M+Na-2H]- 410.11221 194.2
[M]+ 389.13699 185.8
[M]- 389.13809 185.8
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

No patent data available for this compound.