CID 6480030

Chembl362584

Structural Information

Molecular Formula
C26H28N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C=C\CC3=CC=CC=C3)N(C)C)C
InChI
InChI=1S/C26H28N2O2/c1-5-22-18(2)27-26(30)24(28(3)4)23(22)25(29)21-16-10-15-20(17-21)14-9-13-19-11-7-6-8-12-19/h6-12,14-17H,5,13H2,1-4H3,(H,27,30)/b14-9-
InChIKey
VAELRKFBGUVAPC-ZROIWOOFSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.2151 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22238 200.9
[M+Na]+ 423.20432 207.2
[M-H]- 399.20782 209.1
[M+NH4]+ 418.24892 210.0
[M+K]+ 439.17826 200.4
[M+H-H2O]+ 383.21236 189.9
[M+HCOO]- 445.21330 220.9
[M+CH3COO]- 459.22895 230.2
[M+Na-2H]- 421.18977 199.4
[M]+ 400.21455 202.5
[M]- 400.21565 202.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.