CID 164183

8-fluoro-n-(2-(2-thienyl)ethyl)-4-quinolinamine

Structural Information

Molecular Formula
C15H13FN2S
SMILES
C1=CC2=C(C=CN=C2C(=C1)F)NCCC3=CC=CS3
InChI
InChI=1S/C15H13FN2S/c16-13-5-1-4-12-14(7-9-18-15(12)13)17-8-6-11-3-2-10-19-11/h1-5,7,9-10H,6,8H2,(H,17,18)
InChIKey
ICVDYFIRSNABJZ-UHFFFAOYSA-N
Compound name
8-fluoro-N-(2-thiophen-2-ylethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

272.07834 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08562 156.4
[M+Na]+ 295.06756 167.0
[M-H]- 271.07106 162.3
[M+NH4]+ 290.11216 175.0
[M+K]+ 311.04150 160.6
[M+H-H2O]+ 255.07560 148.2
[M+HCOO]- 317.07654 176.4
[M+CH3COO]- 331.09219 169.2
[M+Na-2H]- 293.05301 161.1
[M]+ 272.07779 159.1
[M]- 272.07889 159.1
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