CID 486946

Chembl177709

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

356.24637 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 189.6
[M+Na]+ 379.23559 197.0
[M-H]- 355.23909 195.4
[M+NH4]+ 374.28019 201.9
[M+K]+ 395.20953 192.9
[M+H-H2O]+ 339.24363 180.7
[M+HCOO]- 401.24457 209.5
[M+CH3COO]- 415.26022 225.8
[M+Na-2H]- 377.22104 187.2
[M]+ 356.24582 194.7
[M]- 356.24692 194.7
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.