CID 493536

3-(benzyloxymethyl)-5-ethyl-6-methylpyridin-2-one

Structural Information

Molecular Formula
C16H19NO2
SMILES
CCC1=C(NC(=O)C(=C1)COCC2=CC=CC=C2)C
InChI
InChI=1S/C16H19NO2/c1-3-14-9-15(16(18)17-12(14)2)11-19-10-13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H,17,18)
InChIKey
FTRZHRNPJFHSMT-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-(phenylmethoxymethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 159.3
[M+Na]+ 280.13079 167.6
[M-H]- 256.13429 163.6
[M+NH4]+ 275.17539 174.5
[M+K]+ 296.10473 162.7
[M+H-H2O]+ 240.13883 151.2
[M+HCOO]- 302.13977 180.8
[M+CH3COO]- 316.15542 194.8
[M+Na-2H]- 278.11624 163.7
[M]+ 257.14102 161.0
[M]- 257.14212 161.0
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.