CID 486849

Chembl179736

Structural Information

Molecular Formula
C25H38N2O
SMILES
CCCCN(CCCC)C1=C(C(=C(NC1=O)C)CC)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C25H38N2O/c1-7-10-12-27(13-11-8-2)24-23(22(9-3)20(6)26-25(24)28)17-21-15-18(4)14-19(5)16-21/h14-16H,7-13,17H2,1-6H3,(H,26,28)
InChIKey
GOENZKDNZFYFSA-UHFFFAOYSA-N
Compound name
3-(dibutylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

382.2984 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.30568 200.3
[M+Na]+ 405.28762 206.7
[M-H]- 381.29112 205.4
[M+NH4]+ 400.33222 211.6
[M+K]+ 421.26156 200.7
[M+H-H2O]+ 365.29566 190.7
[M+HCOO]- 427.29660 219.9
[M+CH3COO]- 441.31225 231.7
[M+Na-2H]- 403.27307 197.3
[M]+ 382.29785 205.5
[M]- 382.29895 205.5
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.