CID 3070136

2-quinolinamine, 3,4-dihydro-n-(3-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-, tetrahydrochloride

Structural Information

Molecular Formula
C28H32N4O
SMILES
C1CC(=NC2=CC=CC=C21)NC3=CC(=CC=C3)OCCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C28H32N4O/c1-2-10-25(11-3-1)32-19-17-31(18-20-32)16-7-21-33-26-12-6-9-24(22-26)29-28-15-14-23-8-4-5-13-27(23)30-28/h1-6,8-13,22H,7,14-21H2,(H,29,30)
InChIKey
HQRITXAWYYSTMU-UHFFFAOYSA-N
Compound name
N-[3-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3,4-dihydroquinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.2576 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.26488 209.3
[M+Na]+ 463.24682 210.8
[M-H]- 439.25032 215.7
[M+NH4]+ 458.29142 213.1
[M+K]+ 479.22076 202.3
[M+H-H2O]+ 423.25486 193.7
[M+HCOO]- 485.25580 221.8
[M+CH3COO]- 499.27145 214.0
[M+Na-2H]- 461.23227 212.1
[M]+ 440.25705 203.1
[M]- 440.25815 203.1
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.