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

1
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 164.3
[M+Na]+ 320.00382 174.7
[M-H]- 296.00732 170.1
[M+NH4]+ 315.04842 183.4
[M+K]+ 335.97776 167.5
[M+H-H2O]+ 280.01186 158.7
[M+HCOO]- 342.01280 170.5
[M+CH3COO]- 356.02845 175.9
[M+Na-2H]- 317.98927 164.2
[M]+ 297.01405 167.4
[M]- 297.01515 167.4
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

patents stripe