CID 198722

8-fluoro-n-(2-(4-phenyl-2-thiazolyl)ethyl)-4-quinolinamine

Structural Information

Molecular Formula
C20H16FN3S
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)CCNC3=C4C=CC=C(C4=NC=C3)F
InChI
InChI=1S/C20H16FN3S/c21-16-8-4-7-15-17(9-11-23-20(15)16)22-12-10-19-24-18(13-25-19)14-5-2-1-3-6-14/h1-9,11,13H,10,12H2,(H,22,23)
InChIKey
BSTVTRMDHYBBEA-UHFFFAOYSA-N
Compound name
8-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

349.1049 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11218 177.9
[M+Na]+ 372.09412 188.6
[M-H]- 348.09762 185.5
[M+NH4]+ 367.13872 191.6
[M+K]+ 388.06806 180.2
[M+H-H2O]+ 332.10216 167.7
[M+HCOO]- 394.10310 196.3
[M+CH3COO]- 408.11875 189.0
[M+Na-2H]- 370.07957 181.8
[M]+ 349.10435 180.6
[M]- 349.10545 180.6
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