CID 164182

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

Structural Information

Molecular Formula
C21H17FN2
SMILES
C1=CC=C2C=C(C=CC2=C1)CCNC3=C4C=CC=C(C4=NC=C3)F
InChI
InChI=1S/C21H17FN2/c22-19-7-3-6-18-20(11-13-24-21(18)19)23-12-10-15-8-9-16-4-1-2-5-17(16)14-15/h1-9,11,13-14H,10,12H2,(H,23,24)
InChIKey
NOUJVIAAWZYTLS-UHFFFAOYSA-N
Compound name
8-fluoro-N-(2-naphthalen-2-ylethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

316.13757 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14485 173.2
[M+Na]+ 339.12679 182.4
[M-H]- 315.13029 178.9
[M+NH4]+ 334.17139 187.7
[M+K]+ 355.10073 174.3
[M+H-H2O]+ 299.13483 162.1
[M+HCOO]- 361.13577 194.4
[M+CH3COO]- 375.15142 184.0
[M+Na-2H]- 337.11224 182.2
[M]+ 316.13702 173.2
[M]- 316.13812 173.2
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