CID 164191

4-[2-(4-butoxyphenyl)ethoxy]-8-fluoroquinoline

Structural Information

Molecular Formula
C21H22FNO2
SMILES
CCCCOC1=CC=C(C=C1)CCOC2=C3C=CC=C(C3=NC=C2)F
InChI
InChI=1S/C21H22FNO2/c1-2-3-14-24-17-9-7-16(8-10-17)12-15-25-20-11-13-23-21-18(20)5-4-6-19(21)22/h4-11,13H,2-3,12,14-15H2,1H3
InChIKey
FUTIZZJYOPWKBE-UHFFFAOYSA-N
Compound name
4-[2-(4-butoxyphenyl)ethoxy]-8-fluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.16345 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17073 182.2
[M+Na]+ 362.15267 189.7
[M-H]- 338.15617 186.5
[M+NH4]+ 357.19727 195.2
[M+K]+ 378.12661 183.8
[M+H-H2O]+ 322.16071 171.1
[M+HCOO]- 384.16165 201.7
[M+CH3COO]- 398.17730 213.2
[M+Na-2H]- 360.13812 186.6
[M]+ 339.16290 185.5
[M]- 339.16400 185.5
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

patents stripe