CID 3002819

Chembl329357

Structural Information

Molecular Formula
C23H19ClN2O2
SMILES
C1=CC=C(C=C1)CNC(=O)/C(=C(/C2=CC=CC=C2)\Cl)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H19ClN2O2/c24-20(18-12-6-2-7-13-18)21(26-22(27)19-14-8-3-9-15-19)23(28)25-16-17-10-4-1-5-11-17/h1-15H,16H2,(H,25,28)(H,26,27)/b21-20+
InChIKey
KURPXBNVPSRPJU-QZQOTICOSA-N
Compound name
N-[(E)-3-(benzylamino)-1-chloro-3-oxo-1-phenylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.1135 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12078 193.2
[M+Na]+ 413.10272 195.8
[M-H]- 389.10622 201.4
[M+NH4]+ 408.14732 203.2
[M+K]+ 429.07666 189.2
[M+H-H2O]+ 373.11076 183.8
[M+HCOO]- 435.11170 210.3
[M+CH3COO]- 449.12735 221.6
[M+Na-2H]- 411.08817 194.7
[M]+ 390.11295 192.0
[M]- 390.11405 192.0
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.