CID 254223

Nsc78197

Structural Information

Molecular Formula
C22H27NS
SMILES
CCC1(C2=CC=CC=C2SC3=CC=CC=C31)CC4CCCN(C4)C
InChI
InChI=1S/C22H27NS/c1-3-22(15-17-9-8-14-23(2)16-17)18-10-4-6-12-20(18)24-21-13-7-5-11-19(21)22/h4-7,10-13,17H,3,8-9,14-16H2,1-2H3
InChIKey
DNNSAMRVVMKCTM-UHFFFAOYSA-N
Compound name
3-[(9-ethylthioxanthen-9-yl)methyl]-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.18643 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19371 180.1
[M+Na]+ 360.17565 185.9
[M-H]- 336.17915 185.4
[M+NH4]+ 355.22025 196.7
[M+K]+ 376.14959 179.1
[M+H-H2O]+ 320.18369 170.6
[M+HCOO]- 382.18463 189.3
[M+CH3COO]- 396.20028 188.9
[M+Na-2H]- 358.16110 182.5
[M]+ 337.18588 177.8
[M]- 337.18698 177.8
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.