CID 6108289

4-me-n-(2-(4-methyl-ph)-1-(((2-(4-morpholinyl)et)amino)carbonyl)vinyl)benzamide

Structural Information

Molecular Formula
C24H29N3O3
SMILES
CC1=CC=C(C=C1)/C=C(\C(=O)NCCN2CCOCC2)/NC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C24H29N3O3/c1-18-3-7-20(8-4-18)17-22(26-23(28)21-9-5-19(2)6-10-21)24(29)25-11-12-27-13-15-30-16-14-27/h3-10,17H,11-16H2,1-2H3,(H,25,29)(H,26,28)/b22-17+
InChIKey
VRKPHZDQXWJMCJ-OQKWZONESA-N
Compound name
4-methyl-N-[(E)-1-(4-methylphenyl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.2209 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.22818 202.6
[M+Na]+ 430.21012 203.0
[M-H]- 406.21362 209.6
[M+NH4]+ 425.25472 208.6
[M+K]+ 446.18406 199.4
[M+H-H2O]+ 390.21816 191.2
[M+HCOO]- 452.21910 218.4
[M+CH3COO]- 466.23475 228.8
[M+Na-2H]- 428.19557 201.7
[M]+ 407.22035 198.7
[M]- 407.22145 198.7
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.