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 182.6
[M+Na]+ 376.17056 187.2
[M-H]- 352.17406 187.6
[M+NH4]+ 371.21516 196.4
[M+K]+ 392.14450 180.8
[M+H-H2O]+ 336.17860 173.1
[M+HCOO]- 398.17954 192.0
[M+CH3COO]- 412.19519 190.9
[M+Na-2H]- 374.15601 184.2
[M]+ 353.18079 181.4
[M]- 353.18189 181.4
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.