CID 3056440

N-desmethyl-methixen

Structural Information

Molecular Formula
C19H21NS
SMILES
C1CC(CNC1)CC2C3=CC=CC=C3SC4=CC=CC=C24
InChI
InChI=1S/C19H21NS/c1-3-9-18-15(7-1)17(12-14-6-5-11-20-13-14)16-8-2-4-10-19(16)21-18/h1-4,7-10,14,17,20H,5-6,11-13H2
InChIKey
ZHCRQQSQDOVNFC-UHFFFAOYSA-N
Compound name
3-(9H-thioxanthen-9-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

295.13947 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14675 166.1
[M+Na]+ 318.12869 180.9
[M+NH4]+ 313.17329 177.5
[M+K]+ 334.10263 168.8
[M-H]- 294.13219 172.6
[M+Na-2H]- 316.11414 174.1
[M]+ 295.13892 170.8
[M]- 295.14002 170.8
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

patents stripe