CID 487017

Chembl137117

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCC1=C(NC(=O)C(=C1OC2=CC(=CC(=C2)C)C)N(C)C)C
InChI
InChI=1S/C18H24N2O2/c1-7-15-13(4)19-18(21)16(20(5)6)17(15)22-14-9-11(2)8-12(3)10-14/h8-10H,7H2,1-6H3,(H,19,21)
InChIKey
CAWSQNIRLHLLOF-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 171.7
[M+Na]+ 323.17300 181.2
[M-H]- 299.17650 178.3
[M+NH4]+ 318.21760 186.4
[M+K]+ 339.14694 177.4
[M+H-H2O]+ 283.18104 163.4
[M+HCOO]- 345.18198 194.0
[M+CH3COO]- 359.19763 213.0
[M+Na-2H]- 321.15845 172.6
[M]+ 300.18323 176.0
[M]- 300.18433 176.0
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.