CID 6444656

Piperidine, 1-(3-(2-chlorothioxanthen-9-ylidene)propyl)-4-phenyl-, hydrochloride, hydrate, stereoisomer

Structural Information

Molecular Formula
C27H26ClNS
SMILES
C1CN(CCC1C2=CC=CC=C2)CC/C=C/3\C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C27H26ClNS/c28-22-12-13-27-25(19-22)23(24-9-4-5-11-26(24)30-27)10-6-16-29-17-14-21(15-18-29)20-7-2-1-3-8-20/h1-5,7-13,19,21H,6,14-18H2/b23-10+
InChIKey
SQHNXZYNBOGJAV-AUEPDCJTSA-N
Compound name
1-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.14746 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.15474 202.4
[M+Na]+ 454.13668 208.3
[M-H]- 430.14018 210.0
[M+NH4]+ 449.18128 213.5
[M+K]+ 470.11062 198.1
[M+H-H2O]+ 414.14472 191.8
[M+HCOO]- 476.14566 206.9
[M+CH3COO]- 490.16131 209.4
[M+Na-2H]- 452.12213 202.4
[M]+ 431.14691 200.7
[M]- 431.14801 200.7
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.