CID 486911

6-butyl-3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-1h-pyridin-2-one

Structural Information

Molecular Formula
C20H28N2O
SMILES
CCCCC1=CC(=C(C(=O)N1)N(C)C)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C20H28N2O/c1-6-7-8-18-13-17(19(22(4)5)20(23)21-18)12-16-10-14(2)9-15(3)11-16/h9-11,13H,6-8,12H2,1-5H3,(H,21,23)
InChIKey
NFHYMFIORMWQGZ-UHFFFAOYSA-N
Compound name
6-butyl-3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.227426 177.9
[M+Na]+ 335.209368 185.7
[M-H]- 311.212874 183.6
[M+NH4]+ 330.253973 191.9
[M+K]+ 351.183308 180.7
[M+H-H2O]+ 295.217410 169.2
[M+HCOO]- 357.218351 199.3
[M+CH3COO]- 371.234001 215.6
[M+Na-2H]- 333.194816 178.4
[M]+ 312.21960142 181.0
[M]- 312.22069858 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.