CID 493545

5-ethyl-6-methyl-3-(2-naphthylmethoxymethyl)-1h-pyridin-2-one

Structural Information

Molecular Formula
C20H21NO2
SMILES
CCC1=C(NC(=O)C(=C1)COCC2=CC3=CC=CC=C3C=C2)C
InChI
InChI=1S/C20H21NO2/c1-3-16-11-19(20(22)21-14(16)2)13-23-12-15-8-9-17-6-4-5-7-18(17)10-15/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKey
JZVSRVRLQQANTB-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-(naphthalen-2-ylmethoxymethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.164506 173.7
[M+Na]+ 330.146448 182.4
[M-H]- 306.149954 178.8
[M+NH4]+ 325.191053 187.8
[M+K]+ 346.120388 176.0
[M+H-H2O]+ 290.154490 164.7
[M+HCOO]- 352.155431 193.4
[M+CH3COO]- 366.171081 205.8
[M+Na-2H]- 328.131896 178.2
[M]+ 307.15668142 175.8
[M]- 307.15777858 175.8
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.