CID 3069164

84344-69-4

Structural Information

Molecular Formula
C22H25N3O
SMILES
C1CN(CCN1CCCOC2=CC3=C(C=C2)N=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O/c1-2-7-20(8-3-1)25-15-13-24(14-16-25)12-5-17-26-21-9-10-22-19(18-21)6-4-11-23-22/h1-4,6-11,18H,5,12-17H2
InChIKey
ULTCLPZWZLHNIR-UHFFFAOYSA-N
Compound name
6-[3-(4-phenylpiperazin-1-yl)propoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

347.19977 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.207046 186.3
[M+Na]+ 370.188988 190.5
[M-H]- 346.192494 190.7
[M+NH4]+ 365.233593 194.9
[M+K]+ 386.162928 183.5
[M+H-H2O]+ 330.197030 173.0
[M+HCOO]- 392.197971 200.4
[M+CH3COO]- 406.213621 193.8
[M+Na-2H]- 368.174436 190.8
[M]+ 347.19922142 182.9
[M]- 347.20031858 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