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]+ 327.20671 180.4
[M+Na]+ 349.18865 188.9
[M-H]- 325.19215 185.2
[M+NH4]+ 344.23325 193.2
[M+K]+ 365.16259 183.2
[M+H-H2O]+ 309.19669 172.1
[M+HCOO]- 371.19763 200.7
[M+CH3COO]- 385.21328 215.2
[M+Na-2H]- 347.17410 179.7
[M]+ 326.19888 182.7
[M]- 326.19998 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.