CID 54719914

1-hexyl-4-hydroxy-6-methyl-3-phenyl-pyridin-2-one

Structural Information

Molecular Formula
C18H23NO2
SMILES
CCCCCCN1C(=CC(=C(C1=O)C2=CC=CC=C2)O)C
InChI
InChI=1S/C18H23NO2/c1-3-4-5-9-12-19-14(2)13-16(20)17(18(19)21)15-10-7-6-8-11-15/h6-8,10-11,13,20H,3-5,9,12H2,1-2H3
InChIKey
GYPSMOZZZVZFFO-UHFFFAOYSA-N
Compound name
1-hexyl-4-hydroxy-6-methyl-3-phenylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.2
[M+Na]+ 308.16210 176.6
[M-H]- 284.16560 172.5
[M+NH4]+ 303.20670 182.6
[M+K]+ 324.13604 171.2
[M+H-H2O]+ 268.17014 159.9
[M+HCOO]- 330.17108 189.0
[M+CH3COO]- 344.18673 202.1
[M+Na-2H]- 306.14755 170.8
[M]+ 285.17233 171.1
[M]- 285.17343 171.1
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.