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 207.2
[M+Na]+ 448.22067 209.2
[M-H]- 424.22417 214.2
[M+NH4]+ 443.26527 216.4
[M+K]+ 464.19461 207.3
[M+H-H2O]+ 408.22871 196.8
[M+HCOO]- 470.22965 229.9
[M+CH3COO]- 484.24530 240.6
[M+Na-2H]- 446.20612 204.8
[M]+ 425.23090 211.4
[M]- 425.23200 211.4
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.