CID 487013

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

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCC1=C(NC(=O)C(=C1OC2=CC(=CC(=C2)C)C)N)C
InChI
InChI=1S/C16H20N2O2/c1-5-13-11(4)18-16(19)14(17)15(13)20-12-7-9(2)6-10(3)8-12/h6-8H,5,17H2,1-4H3,(H,18,19)
InChIKey
WROVBWLVDOHGSZ-UHFFFAOYSA-N
Compound name
3-amino-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 164.4
[M+Na]+ 295.14169 174.6
[M-H]- 271.14519 169.3
[M+NH4]+ 290.18629 179.3
[M+K]+ 311.11563 169.5
[M+H-H2O]+ 255.14973 156.7
[M+HCOO]- 317.15067 186.2
[M+CH3COO]- 331.16632 203.2
[M+Na-2H]- 293.12714 165.9
[M]+ 272.15192 165.7
[M]- 272.15302 165.7
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.