CID 3024976

Quinoline, 2-(4-(3-chloropropyl)-1-piperazinyl)-4-phenyl-, monohydrochloride, monohydrate

Structural Information

Molecular Formula
C22H24ClN3
SMILES
C1CN(CCN1CCCCl)C2=NC3=CC=CC=C3C(=C2)C4=CC=CC=C4
InChI
InChI=1S/C22H24ClN3/c23-11-6-12-25-13-15-26(16-14-25)22-17-20(18-7-2-1-3-8-18)19-9-4-5-10-21(19)24-22/h1-5,7-10,17H,6,11-16H2
InChIKey
URYLDSLZOYJCKZ-UHFFFAOYSA-N
Compound name
2-[4-(3-chloropropyl)piperazin-1-yl]-4-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16586 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17314 190.3
[M+Na]+ 388.15508 196.2
[M-H]- 364.15858 194.6
[M+NH4]+ 383.19968 199.4
[M+K]+ 404.12902 187.3
[M+H-H2O]+ 348.16312 177.3
[M+HCOO]- 410.16406 199.4
[M+CH3COO]- 424.17971 197.7
[M+Na-2H]- 386.14053 193.3
[M]+ 365.16531 188.2
[M]- 365.16641 188.2
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.