CID 6156380

4-methyl-n-(2-(4-methylphenyl)-1-(((2-phenylethyl)amino)carbonyl)vinyl)benzamide

Structural Information

Molecular Formula
C26H26N2O2
SMILES
CC1=CC=C(C=C1)/C=C(\C(=O)NCCC2=CC=CC=C2)/NC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C26H26N2O2/c1-19-8-12-22(13-9-19)18-24(28-25(29)23-14-10-20(2)11-15-23)26(30)27-17-16-21-6-4-3-5-7-21/h3-15,18H,16-17H2,1-2H3,(H,27,30)(H,28,29)/b24-18+
InChIKey
RZPPZEDHHUSBEX-HKOYGPOVSA-N
Compound name
4-methyl-N-[(E)-1-(4-methylphenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.19943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.20671 200.4
[M+Na]+ 421.18865 202.9
[M-H]- 397.19215 208.9
[M+NH4]+ 416.23325 209.7
[M+K]+ 437.16259 196.9
[M+H-H2O]+ 381.19669 189.8
[M+HCOO]- 443.19763 221.8
[M+CH3COO]- 457.21328 228.5
[M+Na-2H]- 419.17410 200.4
[M]+ 398.19888 198.8
[M]- 398.19998 198.8
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.