CID 481012

Chembl338936

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)NC=O)C
InChI
InChI=1S/C18H22N2O2/c1-5-15-13(4)20-18(22)17(19-10-21)16(15)9-14-7-11(2)6-12(3)8-14/h6-8,10H,5,9H2,1-4H3,(H,19,21)(H,20,22)
InChIKey
XECRNUYXGTTZHB-UHFFFAOYSA-N
Compound name
N-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

298.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 171.3
[M+Na]+ 321.15734 180.9
[M-H]- 297.16084 176.4
[M+NH4]+ 316.20194 185.3
[M+K]+ 337.13128 175.1
[M+H-H2O]+ 281.16538 163.2
[M+HCOO]- 343.16632 193.2
[M+CH3COO]- 357.18197 208.9
[M+Na-2H]- 319.14279 172.8
[M]+ 298.16757 173.6
[M]- 298.16867 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.