CID 6480035

Chembl365911

Structural Information

Molecular Formula
C24H25N3O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C=C\C3=CN=CC=C3)N(C)C)C
InChI
InChI=1S/C24H25N3O2/c1-5-20-16(2)26-24(29)22(27(3)4)21(20)23(28)19-10-6-8-17(14-19)11-12-18-9-7-13-25-15-18/h6-15H,5H2,1-4H3,(H,26,29)/b12-11-
InChIKey
BGEXGTUOSSSZOY-QXMHVHEDSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-pyridin-3-ylethenyl]benzoyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.19467 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20195 196.7
[M+Na]+ 410.18389 203.9
[M-H]- 386.18739 204.0
[M+NH4]+ 405.22849 205.0
[M+K]+ 426.15783 197.2
[M+H-H2O]+ 370.19193 185.3
[M+HCOO]- 432.19287 216.1
[M+CH3COO]- 446.20852 227.0
[M+Na-2H]- 408.16934 196.5
[M]+ 387.19412 198.2
[M]- 387.19522 198.2
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.