CID 164178

4-quinolinamine, 8-fluoro-n-(2-phenylethyl)-

Structural Information

Molecular Formula
C17H15FN2
SMILES
C1=CC=C(C=C1)CCNC2=C3C=CC=C(C3=NC=C2)F
InChI
InChI=1S/C17H15FN2/c18-15-8-4-7-14-16(10-12-20-17(14)15)19-11-9-13-5-2-1-3-6-13/h1-8,10,12H,9,11H2,(H,19,20)
InChIKey
VZEXXLSTHRPQAA-UHFFFAOYSA-N
Compound name
8-fluoro-N-(2-phenylethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

266.12192 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12920 159.5
[M+Na]+ 289.11114 167.3
[M-H]- 265.11464 164.1
[M+NH4]+ 284.15574 175.2
[M+K]+ 305.08508 161.0
[M+H-H2O]+ 249.11918 149.5
[M+HCOO]- 311.12012 181.2
[M+CH3COO]- 325.13577 170.9
[M+Na-2H]- 287.09659 167.6
[M]+ 266.12137 157.8
[M]- 266.12247 157.8
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