CID 486970

Chembl367745

Structural Information

Molecular Formula
C22H32N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC=CC(=C2)C)N(C)CCCCCO)C
InChI
InChI=1S/C22H32N2O2/c1-5-19-17(3)23-22(26)21(24(4)12-7-6-8-13-25)20(19)15-18-11-9-10-16(2)14-18/h9-11,14,25H,5-8,12-13,15H2,1-4H3,(H,23,26)
InChIKey
AVHFITFFUBSKNU-UHFFFAOYSA-N
Compound name
5-ethyl-3-[5-hydroxypentyl(methyl)amino]-6-methyl-4-[(3-methylphenyl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

356.24637 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 190.8
[M+Na]+ 379.23559 197.0
[M-H]- 355.23909 194.6
[M+NH4]+ 374.28019 202.0
[M+K]+ 395.20953 191.4
[M+H-H2O]+ 339.24363 181.6
[M+HCOO]- 401.24457 210.1
[M+CH3COO]- 415.26022 221.2
[M+Na-2H]- 377.22104 189.7
[M]+ 356.24582 194.1
[M]- 356.24692 194.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.