CID 486980

5-ethyl-6-methyl-3-[methyl(3-methylbut-2-enyl)amino]-4-(m-tolylmethyl)-1h-pyridin-2-one

Structural Information

Molecular Formula
C22H30N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC(=C2)C)N(C)CC=C(C)C)C
InChI
InChI=1S/C22H30N2O/c1-7-19-17(5)23-22(25)21(24(6)12-11-15(2)3)20(19)14-18-10-8-9-16(4)13-18/h8-11,13H,7,12,14H2,1-6H3,(H,23,25)
InChIKey
MSZLKDKKRNABBA-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[methyl(3-methylbut-2-enyl)amino]-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2358 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.24308 185.5
[M+Na]+ 361.22502 192.5
[M-H]- 337.22852 191.0
[M+NH4]+ 356.26962 198.3
[M+K]+ 377.19896 187.0
[M+H-H2O]+ 321.23306 176.6
[M+HCOO]- 383.23400 205.4
[M+CH3COO]- 397.24965 221.0
[M+Na-2H]- 359.21047 183.8
[M]+ 338.23525 187.9
[M]- 338.23635 187.9
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.