CID 24842731

95133-01-0

Structural Information

Molecular Formula
C22H27NS
SMILES
CC1=CC2=C(C=C1)SC3=CC=CC=C3C2CCCN4CCCCC4
InChI
InChI=1S/C22H27NS/c1-17-11-12-22-20(16-17)18(19-8-3-4-10-21(19)24-22)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
VPUUYCRXMIQHPP-UHFFFAOYSA-N
Compound name
1-[3-(2-methyl-9H-thioxanthen-9-yl)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18643 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19371 179.0
[M+Na]+ 360.17565 183.9
[M-H]- 336.17915 184.0
[M+NH4]+ 355.22025 193.6
[M+K]+ 376.14959 176.8
[M+H-H2O]+ 320.18369 169.7
[M+HCOO]- 382.18463 188.3
[M+CH3COO]- 396.20028 187.5
[M+Na-2H]- 358.16110 180.5
[M]+ 337.18588 176.4
[M]- 337.18698 176.4
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.