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 215.4
[M+Na]+ 481.20977 218.4
[M-H]- 457.21327 224.3
[M+NH4]+ 476.25437 222.6
[M+K]+ 497.18371 213.9
[M+H-H2O]+ 441.21781 204.2
[M+HCOO]- 503.21875 236.4
[M+CH3COO]- 517.23440 241.2
[M+Na-2H]- 479.19522 213.1
[M]+ 458.22000 218.1
[M]- 458.22110 218.1
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.