CID 3044983

57962-06-8

Structural Information

Molecular Formula
C21H22FN3
SMILES
C1CN(CCN1CCC2=NC3=CC=CC=C3C=C2)C4=CC(=CC=C4)F
InChI
InChI=1S/C21H22FN3/c22-18-5-3-6-20(16-18)25-14-12-24(13-15-25)11-10-19-9-8-17-4-1-2-7-21(17)23-19/h1-9,16H,10-15H2
InChIKey
HMLRXOSXAWCMDP-UHFFFAOYSA-N
Compound name
2-[2-[4-(3-fluorophenyl)piperazin-1-yl]ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.17978 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18706 183.3
[M+Na]+ 358.16900 189.1
[M-H]- 334.17250 186.9
[M+NH4]+ 353.21360 192.8
[M+K]+ 374.14294 181.1
[M+H-H2O]+ 318.17704 169.5
[M+HCOO]- 380.17798 196.4
[M+CH3COO]- 394.19363 191.1
[M+Na-2H]- 356.15445 186.8
[M]+ 335.17923 177.7
[M]- 335.18033 177.7
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