CID 493537

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

Structural Information

Molecular Formula
C17H21NO2
SMILES
CCC1=C(NC(=O)C(=C1)COCC2=CC=C(C=C2)C)C
InChI
InChI=1S/C17H21NO2/c1-4-15-9-16(17(19)18-13(15)3)11-20-10-14-7-5-12(2)6-8-14/h5-9H,4,10-11H2,1-3H3,(H,18,19)
InChIKey
YPZGBVAUXWNMNW-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[(4-methylphenyl)methoxymethyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 163.6
[M+Na]+ 294.14645 172.4
[M-H]- 270.14995 168.1
[M+NH4]+ 289.19105 178.6
[M+K]+ 310.12039 167.3
[M+H-H2O]+ 254.15449 155.5
[M+HCOO]- 316.15543 184.7
[M+CH3COO]- 330.17108 199.1
[M+Na-2H]- 292.13190 166.7
[M]+ 271.15668 166.1
[M]- 271.15778 166.1
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.