CID 10527371

780739-84-6

Structural Information

Molecular Formula
C27H34N4S
SMILES
C1CN(CCC1SC2=NC3=CC=CC=C3C=C2)CCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C27H34N4S/c1-2-8-24(9-3-1)31-21-19-30(20-22-31)16-6-15-29-17-13-25(14-18-29)32-27-12-11-23-7-4-5-10-26(23)28-27/h1-5,7-12,25H,6,13-22H2
InChIKey
ISEBAGCOGKQJEY-UHFFFAOYSA-N
Compound name
2-[1-[3-(4-phenylpiperazin-1-yl)propyl]piperidin-4-yl]sulfanylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.25043 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.25771 208.6
[M+Na]+ 469.23965 224.0
[M+NH4]+ 464.28425 217.2
[M+K]+ 485.21359 210.9
[M-H]- 445.24315 216.7
[M+Na-2H]- 467.22510 218.1
[M]+ 446.24988 213.7
[M]- 446.25098 213.7
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.