CID 3069165

84344-70-7

Structural Information

Molecular Formula
C22H25N3O
SMILES
C1CN(CCN1CCCOC2=CC3=C(C=CC=N3)C=C2)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O/c1-2-7-20(8-3-1)25-15-13-24(14-16-25)12-5-17-26-21-10-9-19-6-4-11-23-22(19)18-21/h1-4,6-11,18H,5,12-17H2
InChIKey
HDCAHRZSDVOUAW-UHFFFAOYSA-N
Compound name
7-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

347.19977 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.20705 186.3
[M+Na]+ 370.18899 190.5
[M-H]- 346.19249 190.7
[M+NH4]+ 365.23359 194.9
[M+K]+ 386.16293 183.5
[M+H-H2O]+ 330.19703 173.0
[M+HCOO]- 392.19797 200.4
[M+CH3COO]- 406.21362 193.8
[M+Na-2H]- 368.17444 190.8
[M]+ 347.19922 182.9
[M]- 347.20032 182.9
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