CID 6480039

Chembl188309

Structural Information

Molecular Formula
C23H24N4O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C=C\C3=NC=CN=C3)N(C)C)C
InChI
InChI=1S/C23H24N4O2/c1-5-19-15(2)26-23(29)21(27(3)4)20(19)22(28)17-8-6-7-16(13-17)9-10-18-14-24-11-12-25-18/h6-14H,5H2,1-4H3,(H,26,29)/b10-9-
InChIKey
JWSFYDAVMCCDDZ-KTKRTIGZSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-pyrazin-2-ylethenyl]benzoyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.1899 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 197.1
[M+Na]+ 411.17912 204.8
[M-H]- 387.18262 203.2
[M+NH4]+ 406.22372 204.0
[M+K]+ 427.15306 197.8
[M+H-H2O]+ 371.18716 185.1
[M+HCOO]- 433.18810 215.4
[M+CH3COO]- 447.20375 226.7
[M+Na-2H]- 409.16457 197.6
[M]+ 388.18935 198.7
[M]- 388.19045 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

literature stripe

Patent stripe

No patent data available for this compound.