CID 3012803

Chembl182253

Structural Information

Molecular Formula
C25H24N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)C#CC3=CC=CC=C3)N(C)C)C
InChI
InChI=1S/C25H24N2O2/c1-5-21-17(2)26-25(29)23(27(3)4)22(21)24(28)20-13-9-12-19(16-20)15-14-18-10-7-6-8-11-18/h6-13,16H,5H2,1-4H3,(H,26,29)
InChIKey
FDXPKCZNTCZRJM-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-(2-phenylethynyl)benzoyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19106 200.9
[M+Na]+ 407.17300 210.1
[M-H]- 383.17650 205.8
[M+NH4]+ 402.21760 209.0
[M+K]+ 423.14694 201.3
[M+H-H2O]+ 367.18104 184.5
[M+HCOO]- 429.18198 215.0
[M+CH3COO]- 443.19763 229.1
[M+Na-2H]- 405.15845 198.2
[M]+ 384.18323 195.8
[M]- 384.18433 195.8
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.