CID 166280

1-(4-phenyl-2-quinolyl)piperazine

Structural Information

Molecular Formula
C19H19N3
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4
InChI
InChI=1S/C19H19N3/c1-2-6-15(7-3-1)17-14-19(22-12-10-20-11-13-22)21-18-9-5-4-8-16(17)18/h1-9,14,20H,10-13H2
InChIKey
LYLBRVQNLFMNLN-UHFFFAOYSA-N
Compound name
4-phenyl-2-piperazin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

289.1579 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16518 170.0
[M+Na]+ 312.14712 175.4
[M-H]- 288.15062 173.7
[M+NH4]+ 307.19172 180.5
[M+K]+ 328.12106 167.5
[M+H-H2O]+ 272.15516 158.0
[M+HCOO]- 334.15610 183.5
[M+CH3COO]- 348.17175 178.4
[M+Na-2H]- 310.13257 175.8
[M]+ 289.15735 162.6
[M]- 289.15845 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe