CID 486847

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

Structural Information

Molecular Formula
C26H32N2O
SMILES
CCC1=C(N(C(=O)C(=C1CC2=CC(=CC(=C2)C)C)N(C)C)CC3=CC=CC=C3)C
InChI
InChI=1S/C26H32N2O/c1-7-23-20(4)28(17-21-11-9-8-10-12-21)26(29)25(27(5)6)24(23)16-22-14-18(2)13-19(3)15-22/h8-15H,7,16-17H2,1-6H3
InChIKey
WLHQTBUJVRHUGG-UHFFFAOYSA-N
Compound name
1-benzyl-3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.25146 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.25874 199.6
[M+Na]+ 411.24068 208.1
[M-H]- 387.24418 209.8
[M+NH4]+ 406.28528 210.9
[M+K]+ 427.21462 202.2
[M+H-H2O]+ 371.24872 188.6
[M+HCOO]- 433.24966 221.5
[M+CH3COO]- 447.26531 234.1
[M+Na-2H]- 409.22613 198.2
[M]+ 388.25091 204.6
[M]- 388.25201 204.6
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.