CID 54684868

6-[3-(but-3-enyl)benzyl]-4-hydroxy-3,5-diethylpyridin-2(1h)-one

Structural Information

Molecular Formula
C20H25NO2
SMILES
CCC1=C(NC(=O)C(=C1O)CC)CC2=CC=CC(=C2)CCC=C
InChI
InChI=1S/C20H25NO2/c1-4-7-9-14-10-8-11-15(12-14)13-18-16(5-2)19(22)17(6-3)20(23)21-18/h4,8,10-12H,1,5-7,9,13H2,2-3H3,(H2,21,22,23)
InChIKey
QKXIZLWJZSBOTD-UHFFFAOYSA-N
Compound name
6-[(3-but-3-enylphenyl)methyl]-3,5-diethyl-4-hydroxy-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 176.2
[M+Na]+ 334.17776 184.4
[M-H]- 310.18126 179.1
[M+NH4]+ 329.22236 189.0
[M+K]+ 350.15170 177.2
[M+H-H2O]+ 294.18580 168.1
[M+HCOO]- 356.18674 194.9
[M+CH3COO]- 370.20239 206.1
[M+Na-2H]- 332.16321 176.5
[M]+ 311.18799 177.6
[M]- 311.18909 177.6
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.