CID 481010

Chembl128569

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)NC(=O)CC)C
InChI
InChI=1S/C20H26N2O2/c1-6-16-14(5)21-20(24)19(22-18(23)7-2)17(16)11-15-9-12(3)8-13(4)10-15/h8-10H,6-7,11H2,1-5H3,(H,21,24)(H,22,23)
InChIKey
XNJVLUPVBPMIAL-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.206706 180.4
[M+Na]+ 349.188648 188.9
[M-H]- 325.192154 185.2
[M+NH4]+ 344.233253 193.2
[M+K]+ 365.162588 183.2
[M+H-H2O]+ 309.196690 172.1
[M+HCOO]- 371.197631 200.7
[M+CH3COO]- 385.213281 215.2
[M+Na-2H]- 347.174096 179.7
[M]+ 326.19888142 182.7
[M]- 326.19997858 182.7
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.