CID 54719911

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

Structural Information

Molecular Formula
C15H17NO2
SMILES
CCCN1C(=CC(=C(C1=O)C2=CC=CC=C2)O)C
InChI
InChI=1S/C15H17NO2/c1-3-9-16-11(2)10-13(17)14(15(16)18)12-7-5-4-6-8-12/h4-8,10,17H,3,9H2,1-2H3
InChIKey
DDUDENSQNQALFX-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methyl-3-phenyl-1-propylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 154.4
[M+Na]+ 266.11515 164.1
[M-H]- 242.11865 159.3
[M+NH4]+ 261.15975 170.5
[M+K]+ 282.08909 159.5
[M+H-H2O]+ 226.12319 146.7
[M+HCOO]- 288.12413 176.2
[M+CH3COO]- 302.13978 193.1
[M+Na-2H]- 264.10060 158.6
[M]+ 243.12538 156.2
[M]- 243.12648 156.2
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.