CID 6480041

Chembl185663

Structural Information

Molecular Formula
C24H27N3O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C=C/C3=CC=CN3C)N(C)C)C
InChI
InChI=1S/C24H27N3O2/c1-6-20-16(2)25-24(29)22(26(3)4)21(20)23(28)18-10-7-9-17(15-18)12-13-19-11-8-14-27(19)5/h7-15H,6H2,1-5H3,(H,25,29)/b13-12+
InChIKey
HCZDYNOGKVDELH-OUKQBFOZSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]benzoyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.21033 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21761 197.0
[M+Na]+ 412.19955 205.0
[M-H]- 388.20305 205.1
[M+NH4]+ 407.24415 207.6
[M+K]+ 428.17349 198.6
[M+H-H2O]+ 372.20759 187.0
[M+HCOO]- 434.20853 217.4
[M+CH3COO]- 448.22418 227.9
[M+Na-2H]- 410.18500 193.5
[M]+ 389.20978 199.9
[M]- 389.21088 199.9
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.