CID 493530

(5-ethyl-2-methoxy-6-methyl(3-pyridyl))[(4-fluorophenyl)methoxy]methane

Structural Information

Molecular Formula
C17H20FNO2
SMILES
CCC1=CC(=C(N=C1C)OC)COCC2=CC=C(C=C2)F
InChI
InChI=1S/C17H20FNO2/c1-4-14-9-15(17(20-3)19-12(14)2)11-21-10-13-5-7-16(18)8-6-13/h5-9H,4,10-11H2,1-3H3
InChIKey
IOWXLCPRUJVBKF-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(4-fluorophenyl)methoxymethyl]-2-methoxy-6-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1478 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15508 167.2
[M+Na]+ 312.13702 176.2
[M-H]- 288.14052 171.6
[M+NH4]+ 307.18162 182.1
[M+K]+ 328.11096 172.1
[M+H-H2O]+ 272.14506 157.7
[M+HCOO]- 334.14600 188.6
[M+CH3COO]- 348.16165 204.9
[M+Na-2H]- 310.12247 170.2
[M]+ 289.14725 171.2
[M]- 289.14835 171.2
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.