CID 481014

Chembl128255

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)NC(=O)OCC)C
InChI
InChI=1S/C20H26N2O3/c1-6-16-14(5)21-19(23)18(22-20(24)25-7-2)17(16)11-15-9-12(3)8-13(4)10-15/h8-10H,6-7,11H2,1-5H3,(H,21,23)(H,22,24)
InChIKey
JJHIYZLWSIGWDT-UHFFFAOYSA-N
Compound name
ethyl N-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 183.9
[M+Na]+ 365.18356 192.2
[M-H]- 341.18706 188.7
[M+NH4]+ 360.22816 196.0
[M+K]+ 381.15750 187.3
[M+H-H2O]+ 325.19160 175.3
[M+HCOO]- 387.19254 204.3
[M+CH3COO]- 401.20819 216.7
[M+Na-2H]- 363.16901 183.2
[M]+ 342.19379 187.5
[M]- 342.19489 187.5
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.