CID 6480031

Chembl180152

Structural Information

Molecular Formula
C25H26N2O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C=C\C3=CC=CC=C3)N(C)C)C
InChI
InChI=1S/C25H26N2O2/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/h6-16H,5H2,1-4H3,(H,26,29)/b15-14-
InChIKey
HWBIRXAROAGGGQ-PFONDFGASA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-2-phenylethenyl]benzoyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.19943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20671 196.3
[M+Na]+ 409.18865 203.1
[M-H]- 385.19215 204.8
[M+NH4]+ 404.23325 206.1
[M+K]+ 425.16259 196.6
[M+H-H2O]+ 369.19669 185.6
[M+HCOO]- 431.19763 216.7
[M+CH3COO]- 445.21328 227.2
[M+Na-2H]- 407.17410 195.5
[M]+ 386.19888 197.6
[M]- 386.19998 197.6
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.