CID 107392

Piperidine, 1-methyl-3-(thioxanthen-9-ylidenemethyl)-, hydrochloride

Structural Information

Molecular Formula
C20H21NS
SMILES
CN1CCC(CC1)C=C2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C20H21NS/c1-21-12-10-15(11-13-21)14-18-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-9,14-15H,10-13H2,1H3
InChIKey
PGQGIWZGLBOXAN-UHFFFAOYSA-N
Compound name
1-methyl-4-(thioxanthen-9-ylidenemethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.13947 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14675 169.8
[M+Na]+ 330.12869 176.0
[M-H]- 306.13219 175.4
[M+NH4]+ 325.17329 185.7
[M+K]+ 346.10263 168.8
[M+H-H2O]+ 290.13673 161.1
[M+HCOO]- 352.13767 180.1
[M+CH3COO]- 366.15332 179.4
[M+Na-2H]- 328.11414 172.4
[M]+ 307.13892 165.9
[M]- 307.14002 165.9
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.