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]+ 308.16451 173.7
[M+Na]+ 330.14645 182.4
[M-H]- 306.14995 178.8
[M+NH4]+ 325.19105 187.8
[M+K]+ 346.12039 176.0
[M+H-H2O]+ 290.15449 164.7
[M+HCOO]- 352.15543 193.4
[M+CH3COO]- 366.17108 205.8
[M+Na-2H]- 328.13190 178.2
[M]+ 307.15668 175.8
[M]- 307.15778 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.