CID 6433391

Alpha-benzamido-n-(2-(diethylamino)ethyl)-2,4-dimethoxycinnamamide

Structural Information

Molecular Formula
C24H31N3O4
SMILES
CCN(CC)CCNC(=O)/C(=C/C1=C(C=C(C=C1)OC)OC)/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C24H31N3O4/c1-5-27(6-2)15-14-25-24(29)21(26-23(28)18-10-8-7-9-11-18)16-19-12-13-20(30-3)17-22(19)31-4/h7-13,16-17H,5-6,14-15H2,1-4H3,(H,25,29)(H,26,28)/b21-16-
InChIKey
MHQHVAIAXKIJBY-PGMHBOJBSA-N
Compound name
N-[(Z)-3-[2-(diethylamino)ethylamino]-1-(2,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
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 207.0
[M+Na]+ 448.22067 208.1
[M-H]- 424.22417 213.6
[M+NH4]+ 443.26527 215.9
[M+K]+ 464.19461 206.2
[M+H-H2O]+ 408.22871 196.4
[M+HCOO]- 470.22965 229.8
[M+CH3COO]- 484.24530 239.2
[M+Na-2H]- 446.20612 205.4
[M]+ 425.23090 210.8
[M]- 425.23200 210.8
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.