CID 1240864

2h-thiopyran-4-ol, tetrahydro-4-(4-chlorophenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-

Structural Information

Molecular Formula
C14H20ClNOS
SMILES
CN(C)C[C@H]1CSCC[C@]1(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C14H20ClNOS/c1-16(2)9-12-10-18-8-7-14(12,17)11-3-5-13(15)6-4-11/h3-6,12,17H,7-10H2,1-2H3/t12-,14+/m0/s1
InChIKey
DNRQDBDRYNYKIL-GXTWGEPZSA-N
Compound name
(3R,4S)-4-(4-chlorophenyl)-3-[(dimethylamino)methyl]thian-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0954 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10268 162.6
[M+Na]+ 308.08462 174.7
[M+NH4]+ 303.12922 173.8
[M+K]+ 324.05856 163.3
[M-H]- 284.08812 167.8
[M+Na-2H]- 306.07007 171.3
[M]+ 285.09485 166.8
[M]- 285.09595 166.8
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.