CID 6319880

Chembl435522

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCCC(=O)NC1=C(C(=C(NC1=O)C)CC)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C21H28N2O2/c1-6-8-19(24)23-20-18(17(7-2)15(5)22-21(20)25)12-16-10-13(3)9-14(4)11-16/h9-11H,6-8,12H2,1-5H3,(H,22,25)(H,23,24)
InChIKey
KUONZPPZYRZOFL-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

340.2151 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 184.9
[M+Na]+ 363.20432 192.9
[M-H]- 339.20782 189.5
[M+NH4]+ 358.24892 197.2
[M+K]+ 379.17826 187.1
[M+H-H2O]+ 323.21236 176.4
[M+HCOO]- 385.21330 204.8
[M+CH3COO]- 399.22895 218.2
[M+Na-2H]- 361.18977 183.7
[M]+ 340.21455 187.6
[M]- 340.21565 187.6
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.