CID 487012

Chembl368028

Structural Information

Molecular Formula
C23H24N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)C3=CC=CC=C3)N(C)C)C
InChI
InChI=1S/C23H24N2O2/c1-5-19-15(2)24-23(27)21(25(3)4)20(19)22(26)18-13-9-12-17(14-18)16-10-7-6-8-11-16/h6-14H,5H2,1-4H3,(H,24,27)
InChIKey
BHMOFVQDYUETBV-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-(3-phenylbenzoyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.18378 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19106 188.2
[M+Na]+ 383.17300 195.6
[M-H]- 359.17650 197.1
[M+NH4]+ 378.21760 199.1
[M+K]+ 399.14694 190.1
[M+H-H2O]+ 343.18104 177.9
[M+HCOO]- 405.18198 209.1
[M+CH3COO]- 419.19763 222.7
[M+Na-2H]- 381.15845 188.4
[M]+ 360.18323 189.7
[M]- 360.18433 189.7
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.