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]+ 273.159746 164.4
[M+Na]+ 295.141688 174.6
[M-H]- 271.145194 169.3
[M+NH4]+ 290.186293 179.3
[M+K]+ 311.115628 169.5
[M+H-H2O]+ 255.149730 156.7
[M+HCOO]- 317.150671 186.2
[M+CH3COO]- 331.166321 203.2
[M+Na-2H]- 293.127136 165.9
[M]+ 272.15192142 165.7
[M]- 272.15301858 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.