CID 486842

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

Structural Information

Molecular Formula
C23H34N2O
SMILES
CCCN(CCC)C1=C(C(=C(NC1=O)C)CC)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C23H34N2O/c1-7-10-25(11-8-2)22-21(20(9-3)18(6)24-23(22)26)15-19-13-16(4)12-17(5)14-19/h12-14H,7-11,15H2,1-6H3,(H,24,26)
InChIKey
GXGLUFGAFBRRDZ-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-3-(dipropylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.26712 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.274396 191.3
[M+Na]+ 377.256338 198.6
[M-H]- 353.259844 196.8
[M+NH4]+ 372.300943 203.7
[M+K]+ 393.230278 193.0
[M+H-H2O]+ 337.264380 182.1
[M+HCOO]- 399.265321 211.5
[M+CH3COO]- 413.280971 225.8
[M+Na-2H]- 375.241786 189.4
[M]+ 354.26657142 195.8
[M]- 354.26766858 195.8
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.