CID 486968

2(1h)-pyridinone, 3-(dimethylamino)-4-(3,5-dimethylphenyl)methyl-5-ethyl-6-methyl-1-phenyl-

Structural Information

Molecular Formula
C25H30N2O
SMILES
CCC1=C(N(C(=O)C(=C1CC2=CC(=CC(=C2)C)C)N(C)C)C3=CC=CC=C3)C
InChI
InChI=1S/C25H30N2O/c1-7-22-19(4)27(21-11-9-8-10-12-21)25(28)24(26(5)6)23(22)16-20-14-17(2)13-18(3)15-20/h8-15H,7,16H2,1-6H3
InChIKey
KEMJYKMKGONIND-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1-phenylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2358 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.24308 195.0
[M+Na]+ 397.22502 204.0
[M-H]- 373.22852 205.5
[M+NH4]+ 392.26962 206.9
[M+K]+ 413.19896 198.3
[M+H-H2O]+ 357.23306 184.2
[M+HCOO]- 419.23400 217.3
[M+CH3COO]- 433.24965 231.2
[M+Na-2H]- 395.21047 194.1
[M]+ 374.23525 199.7
[M]- 374.23635 199.7
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.