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

2
Patents

339.16345 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.170726 182.2
[M+Na]+ 362.152668 189.7
[M-H]- 338.156174 186.5
[M+NH4]+ 357.197273 195.2
[M+K]+ 378.126608 183.8
[M+H-H2O]+ 322.160710 171.1
[M+HCOO]- 384.161651 201.7
[M+CH3COO]- 398.177301 213.2
[M+Na-2H]- 360.138116 186.6
[M]+ 339.16290142 185.5
[M]- 339.16399858 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