CID 486869

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

Structural Information

Molecular Formula
C21H30N2O
SMILES
CCC1=C(N(C(=O)C(=C1CC2=CC(=CC(=C2)C)C)N(C)C)CC)C
InChI
InChI=1S/C21H30N2O/c1-8-18-16(5)23(9-2)21(24)20(22(6)7)19(18)13-17-11-14(3)10-15(4)12-17/h10-12H,8-9,13H2,1-7H3
InChIKey
BLEBQXMGWIDECD-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-1,5-diethyl-6-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2358 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 180.8
[M+Na]+ 349.22502 190.4
[M-H]- 325.22852 188.5
[M+NH4]+ 344.26962 195.5
[M+K]+ 365.19896 186.3
[M+H-H2O]+ 309.23306 172.1
[M+HCOO]- 371.23400 203.3
[M+CH3COO]- 385.24965 223.6
[M+Na-2H]- 347.21047 179.8
[M]+ 326.23525 187.0
[M]- 326.23635 187.0
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.