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]+ 390.144816 189.8
[M+Na]+ 412.126758 190.3
[M-H]- 388.130264 198.1
[M+NH4]+ 407.171363 197.7
[M+K]+ 428.100698 182.5
[M+H-H2O]+ 372.134800 183.4
[M+HCOO]- 434.135741 213.1
[M+CH3COO]- 448.151391 217.7
[M+Na-2H]- 410.112206 194.2
[M]+ 389.13699142 185.8
[M]- 389.13808858 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.