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]+ 355.27440 191.3
[M+Na]+ 377.25634 198.6
[M-H]- 353.25984 196.8
[M+NH4]+ 372.30094 203.7
[M+K]+ 393.23028 193.0
[M+H-H2O]+ 337.26438 182.1
[M+HCOO]- 399.26532 211.5
[M+CH3COO]- 413.28097 225.8
[M+Na-2H]- 375.24179 189.4
[M]+ 354.26657 195.8
[M]- 354.26767 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.