CID 3088776

Quinoline, 1,2,3,4-tetrahydro-6-(3-(4-phenyl-1-piperazinyl)propoxy)-, trihydrochloride, monohydrate

Structural Information

Molecular Formula
C22H29N3O
SMILES
C1CC2=C(C=CC(=C2)OCCCN3CCN(CC3)C4=CC=CC=C4)NC1
InChI
InChI=1S/C22H29N3O/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/h1-3,7-10,18,23H,4-6,11-17H2
InChIKey
KULJVJGZPOUVDI-UHFFFAOYSA-N
Compound name
6-[3-(4-phenylpiperazin-1-yl)propoxy]-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 190.7
[M+Na]+ 374.22027 204.3
[M+NH4]+ 369.26487 198.6
[M+K]+ 390.19421 194.6
[M-H]- 350.22377 196.1
[M+Na-2H]- 372.20572 198.2
[M]+ 351.23050 194.1
[M]- 351.23160 194.1
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

No patent data available for this compound.