CID 1899077

N-(1-((benzylamino)carbonyl)-2-(3-nitrophenyl)vinyl)benzamide

Structural Information

Molecular Formula
C23H19N3O4
SMILES
C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H19N3O4/c27-22(19-11-5-2-6-12-19)25-21(15-18-10-7-13-20(14-18)26(29)30)23(28)24-16-17-8-3-1-4-9-17/h1-15H,16H2,(H,24,28)(H,25,27)/b21-15-
InChIKey
JVQZRXIZNNLBFW-QNGOZBTKSA-N
Compound name
N-[(Z)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.13754 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14482 194.0
[M+Na]+ 424.12676 194.4
[M-H]- 400.13026 202.1
[M+NH4]+ 419.17136 201.3
[M+K]+ 440.10070 185.8
[M+H-H2O]+ 384.13480 187.5
[M+HCOO]- 446.13574 217.1
[M+CH3COO]- 460.15139 219.1
[M+Na-2H]- 422.11221 197.8
[M]+ 401.13699 189.5
[M]- 401.13809 189.5
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.