CID 6073270

N-[(e)-1-({[2-(3,4-dimethoxyphenyl)ethyl]amino}carbonyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzamide

Structural Information

Molecular Formula
C28H30N2O4
SMILES
CC1=CC=C(C=C1)/C=C(\C(=O)NCCC2=CC(=C(C=C2)OC)OC)/NC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C28H30N2O4/c1-19-5-9-21(10-6-19)17-24(30-27(31)23-12-7-20(2)8-13-23)28(32)29-16-15-22-11-14-25(33-3)26(18-22)34-4/h5-14,17-18H,15-16H2,1-4H3,(H,29,32)(H,30,31)/b24-17+
InChIKey
LCXMVNFJUPRXER-JJIBRWJFSA-N
Compound name
N-[(E)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.22055 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.22783 215.9
[M+Na]+ 481.20977 227.8
[M+NH4]+ 476.25437 220.7
[M+K]+ 497.18371 220.2
[M-H]- 457.21327 221.7
[M+Na-2H]- 479.19522 223.3
[M]+ 458.22000 219.0
[M]- 458.22110 219.0
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.