CID 12570090

2-chloroticlopidine

Structural Information

Molecular Formula
C14H13Cl2NS
SMILES
C1CN(CC2=C1SC(=C2)Cl)CC3=CC=CC=C3Cl
InChI
InChI=1S/C14H13Cl2NS/c15-12-4-2-1-3-10(12)8-17-6-5-13-11(9-17)7-14(16)18-13/h1-4,7H,5-6,8-9H2
InChIKey
INYHLAYOOFHUNE-UHFFFAOYSA-N
Compound name
2-chloro-5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0146 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.02188 163.4
[M+Na]+ 320.00382 179.2
[M+NH4]+ 315.04842 174.6
[M+K]+ 335.97776 168.6
[M-H]- 296.00732 168.6
[M+Na-2H]- 317.98927 170.8
[M]+ 297.01405 168.4
[M]- 297.01515 168.4
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.