CID 24842722

95131-88-7

Structural Information

Molecular Formula
C22H27NOS
SMILES
COC1=CC2=C(C=C1)SC3=CC=CC=C3C2CCCN4CCCCC4
InChI
InChI=1S/C22H27NOS/c1-24-17-11-12-22-20(16-17)18(19-8-3-4-10-21(19)25-22)9-7-15-23-13-5-2-6-14-23/h3-4,8,10-12,16,18H,2,5-7,9,13-15H2,1H3
InChIKey
XPDLMKRRTQEKFI-UHFFFAOYSA-N
Compound name
1-[3-(2-methoxy-9H-thioxanthen-9-yl)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.18134 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18862 183.0
[M+Na]+ 376.17056 197.6
[M+NH4]+ 371.21516 193.7
[M+K]+ 392.14450 185.1
[M-H]- 352.17406 189.5
[M+Na-2H]- 374.15601 190.1
[M]+ 353.18079 187.7
[M]- 353.18189 187.7
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.