CID 164190

4-(2-(4-(1,1-dimethylethyl)phenyl)ethoxy)-8-fluoroquinoline

Structural Information

Molecular Formula
C21H22FNO
SMILES
CC(C)(C)C1=CC=C(C=C1)CCOC2=C3C=CC=C(C3=NC=C2)F
InChI
InChI=1S/C21H22FNO/c1-21(2,3)16-9-7-15(8-10-16)12-14-24-19-11-13-23-20-17(19)5-4-6-18(20)22/h4-11,13H,12,14H2,1-3H3
InChIKey
NIWYIINIOXKATE-UHFFFAOYSA-N
Compound name
4-[2-(4-tert-butylphenyl)ethoxy]-8-fluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

323.16855 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17583 180.0
[M+Na]+ 346.15777 188.2
[M-H]- 322.16127 184.8
[M+NH4]+ 341.20237 194.1
[M+K]+ 362.13171 182.3
[M+H-H2O]+ 306.16581 170.0
[M+HCOO]- 368.16675 197.8
[M+CH3COO]- 382.18240 211.1
[M+Na-2H]- 344.14322 185.2
[M]+ 323.16800 181.5
[M]- 323.16910 181.5
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