CID 2131129

N-(1-((4-bromoanilino)carbonyl)-2-phenylvinyl)-4-methylbenzamide

Structural Information

Molecular Formula
C23H19BrN2O2
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H19BrN2O2/c1-16-7-9-18(10-8-16)22(27)26-21(15-17-5-3-2-4-6-17)23(28)25-20-13-11-19(24)12-14-20/h2-15H,1H3,(H,25,28)(H,26,27)/b21-15+
InChIKey
DHXHUFYDHCARMH-RCCKNPSSSA-N
Compound name
N-[(E)-3-(4-bromoanilino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.063 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.07028 197.2
[M+Na]+ 457.05222 203.1
[M-H]- 433.05572 207.9
[M+NH4]+ 452.09682 208.8
[M+K]+ 473.02616 190.0
[M+H-H2O]+ 417.06026 193.1
[M+HCOO]- 479.06120 216.8
[M+CH3COO]- 493.07685 226.8
[M+Na-2H]- 455.03767 199.3
[M]+ 434.06245 213.0
[M]- 434.06355 213.0
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.