CID 493538

5-ethyl-3-[(2-fluorophenyl)methoxymethyl]-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula
C16H18FNO2
SMILES
CCC1=C(NC(=O)C(=C1)COCC2=CC=CC=C2F)C
InChI
InChI=1S/C16H18FNO2/c1-3-12-8-14(16(19)18-11(12)2)10-20-9-13-6-4-5-7-15(13)17/h4-8H,3,9-10H2,1-2H3,(H,18,19)
InChIKey
UOXQIQSOYDTXJO-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(2-fluorophenyl)methoxymethyl]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.13217 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13945 162.1
[M+Na]+ 298.12139 171.4
[M-H]- 274.12489 165.3
[M+NH4]+ 293.16599 176.8
[M+K]+ 314.09533 166.0
[M+H-H2O]+ 258.12943 153.2
[M+HCOO]- 320.13037 182.5
[M+CH3COO]- 334.14602 198.7
[M+Na-2H]- 296.10684 165.1
[M]+ 275.13162 163.2
[M]- 275.13272 163.2
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.