CID 45053513

N-[(z)-2-(3,4-dimethoxyphenyl)-1-({[3-(dimethylamino)propyl]amino}carbonyl)ethenyl]-4-methylbenzamide

Structural Information

Molecular Formula
C24H31N3O4
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)NCCCN(C)C
InChI
InChI=1S/C24H31N3O4/c1-17-7-10-19(11-8-17)23(28)26-20(24(29)25-13-6-14-27(2)3)15-18-9-12-21(30-4)22(16-18)31-5/h7-12,15-16H,6,13-14H2,1-5H3,(H,25,29)(H,26,28)/b20-15-
InChIKey
GKEKWGWHSGJYRW-HKWRFOASSA-N
Compound name
N-[(Z)-1-(3,4-dimethoxyphenyl)-3-[3-(dimethylamino)propylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.23145 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.23873 206.4
[M+Na]+ 448.22067 214.8
[M+NH4]+ 443.26527 210.4
[M+K]+ 464.19461 209.4
[M-H]- 424.22417 209.8
[M+Na-2H]- 446.20612 210.9
[M]+ 425.23090 208.1
[M]- 425.23200 208.1
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.