CID 486885

2(1h)-pyridinone, 4-(3,5-dimethylphenyl)methyl-5-ethyl-6-methyl-3-methyl(2-methylpropyl)amino-

Structural Information

Molecular Formula
C22H32N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)N(C)CC(C)C)C
InChI
InChI=1S/C22H32N2O/c1-8-19-17(6)23-22(25)21(24(7)13-14(2)3)20(19)12-18-10-15(4)9-16(5)11-18/h9-11,14H,8,12-13H2,1-7H3,(H,23,25)
InChIKey
LZOOIJCIEVCFIF-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-[methyl(2-methylpropyl)amino]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.25146 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.25874 186.1
[M+Na]+ 363.24068 193.7
[M-H]- 339.24418 192.0
[M+NH4]+ 358.28528 199.1
[M+K]+ 379.21462 188.9
[M+H-H2O]+ 323.24872 177.5
[M+HCOO]- 385.24966 205.8
[M+CH3COO]- 399.26531 223.7
[M+Na-2H]- 361.22613 183.7
[M]+ 340.25091 189.8
[M]- 340.25201 189.8
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.