CID 9971862

Chembl234285

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCC1=C(NC(=O)C(=C1OC2=CC(=CC(=C2)C)C)C3CC3)C
InChI
InChI=1S/C19H23NO2/c1-5-16-13(4)20-19(21)17(14-6-7-14)18(16)22-15-9-11(2)8-12(3)10-15/h8-10,14H,5-7H2,1-4H3,(H,20,21)
InChIKey
BLDVIGZCWQVZTB-UHFFFAOYSA-N
Compound name
3-cyclopropyl-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

297.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 169.6
[M+Na]+ 320.16210 180.9
[M-H]- 296.16560 178.2
[M+NH4]+ 315.20670 179.3
[M+K]+ 336.13604 174.5
[M+H-H2O]+ 280.17014 161.4
[M+HCOO]- 342.17108 190.6
[M+CH3COO]- 356.18673 208.3
[M+Na-2H]- 318.14755 170.7
[M]+ 297.17233 174.6
[M]- 297.17343 174.6
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.