CID 486860

Chembl178061

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)N3CCOCC3)C
InChI
InChI=1S/C21H28N2O2/c1-5-18-16(4)22-21(24)20(23-6-8-25-9-7-23)19(18)13-17-11-14(2)10-15(3)12-17/h10-12H,5-9,13H2,1-4H3,(H,22,24)
InChIKey
SRLXINQZZYSXLP-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-morpholin-4-yl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

340.2151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 187.1
[M+Na]+ 363.20432 194.4
[M-H]- 339.20782 193.3
[M+NH4]+ 358.24892 196.2
[M+K]+ 379.17826 189.0
[M+H-H2O]+ 323.21236 176.6
[M+HCOO]- 385.21330 201.4
[M+CH3COO]- 399.22895 213.5
[M+Na-2H]- 361.18977 186.4
[M]+ 340.21455 185.9
[M]- 340.21565 185.9
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.