CID 5472

Ticlopidine

Structural Information

Molecular Formula

C₁₄H₁₄ClNS

SMILES

C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2

InChIKey

PHWBOXQYWZNQIN-UHFFFAOYSA-N

Compound name

5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 11017
References: 47758
Patents: 263.05356 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.06084	157.3
[M+Na]+	286.04278	166.7
[M-H]-	262.04628	163.5
[M+NH4]+	281.08738	177.2
[M+K]+	302.01672	160.4
[M+H-H2O]+	246.05082	151.1
[M+HCOO]-	308.05176	168.7
[M+CH3COO]-	322.06741	169.5
[M+Na-2H]-	284.02823	158.8
[M]+	263.05301	159.0
[M]-	263.05411	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe