CID 1047045

N-(1-benzylcarbamoyl-2-(4-methoxy-phenyl)-vinyl)-benzamide

Structural Information

Molecular Formula
C24H22N2O3
SMILES
COC1=CC=C(C=C1)/C=C(\C(=O)NCC2=CC=CC=C2)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H22N2O3/c1-29-21-14-12-18(13-15-21)16-22(26-23(27)20-10-6-3-7-11-20)24(28)25-17-19-8-4-2-5-9-19/h2-16H,17H2,1H3,(H,25,28)(H,26,27)/b22-16+
InChIKey
NHMAUDLNFYVJIE-CJLVFECKSA-N
Compound name
N-[(E)-3-(benzylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.16306 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17034 194.2
[M+Na]+ 409.15228 196.4
[M-H]- 385.15578 202.6
[M+NH4]+ 404.19688 203.5
[M+K]+ 425.12622 191.6
[M+H-H2O]+ 369.16032 183.5
[M+HCOO]- 431.16126 216.5
[M+CH3COO]- 445.17691 223.5
[M+Na-2H]- 407.13773 196.0
[M]+ 386.16251 192.8
[M]- 386.16361 192.8
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.