CID 3011693

4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C16H19NO2
SMILES
CCC1=C(NC(=O)C=C1OC2=CC(=CC(=C2)C)C)C
InChI
InChI=1S/C16H19NO2/c1-5-14-12(4)17-16(18)9-15(14)19-13-7-10(2)6-11(3)8-13/h6-9H,5H2,1-4H3,(H,17,18)
InChIKey
UDBNRWYIGALRQV-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

257.14157 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 158.6
[M+Na]+ 280.130788 168.8
[M-H]- 256.134294 163.7
[M+NH4]+ 275.175393 174.4
[M+K]+ 296.104728 164.0
[M+H-H2O]+ 240.138830 151.0
[M+HCOO]- 302.139771 180.0
[M+CH3COO]- 316.155421 197.3
[M+Na-2H]- 278.116236 161.6
[M]+ 257.14102142 161.2
[M]- 257.14211858 161.2
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.