CID 486889

3-[benzyl(methyl)amino]-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C25H30N2O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)N(C)CC3=CC=CC=C3)C
InChI
InChI=1S/C25H30N2O/c1-6-22-19(4)26-25(28)24(27(5)16-20-10-8-7-9-11-20)23(22)15-21-13-17(2)12-18(3)14-21/h7-14H,6,15-16H2,1-5H3,(H,26,28)
InChIKey
XBBVYMLRBPVCLD-UHFFFAOYSA-N
Compound name
3-[benzyl(methyl)amino]-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2358 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.24308 195.5
[M+Na]+ 397.22502 203.1
[M-H]- 373.22852 204.2
[M+NH4]+ 392.26962 206.4
[M+K]+ 413.19896 196.5
[M+H-H2O]+ 357.23306 184.9
[M+HCOO]- 419.23400 216.3
[M+CH3COO]- 433.24965 227.5
[M+Na-2H]- 395.21047 195.0
[M]+ 374.23525 197.9
[M]- 374.23635 197.9
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.