CID 6075181

N-(2-(3,4-dimethoxyphenyl)-1-((isobutylamino)carbonyl)vinyl)-4-methylbenzamide

Structural Information

Molecular Formula
C23H28N2O4
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)NCC(C)C
InChI
InChI=1S/C23H28N2O4/c1-15(2)14-24-23(27)19(25-22(26)18-9-6-16(3)7-10-18)12-17-8-11-20(28-4)21(13-17)29-5/h6-13,15H,14H2,1-5H3,(H,24,27)(H,25,26)/b19-12-
InChIKey
DEVSLQBCZZQURG-UNOMPAQXSA-N
Compound name
N-[(Z)-1-(3,4-dimethoxyphenyl)-3-(2-methylpropylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2049 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21218 198.3
[M+Na]+ 419.19412 207.6
[M+NH4]+ 414.23872 202.6
[M+K]+ 435.16806 202.4
[M-H]- 395.19762 201.0
[M+Na-2H]- 417.17957 202.8
[M]+ 396.20435 200.0
[M]- 396.20545 200.0
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.