CID 12337017

7-hydroxyticlopidine

Structural Information

Molecular Formula

C₁₄H₁₄ClNOS

SMILES

C1C(C2=C(CN1CC3=CC=CC=C3Cl)C=CS2)O

InChI

InChI=1S/C14H14ClNOS/c15-12-4-2-1-3-10(12)7-16-8-11-5-6-18-14(11)13(17)9-16/h1-6,13,17H,7-9H2

InChIKey

GWHGEZHHJDSDMI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 279.04846 Da
Monoisotopic Mass: 2.5
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]+	280.055736	160.4
[M+Na]+	302.037678	170.0
[M-H]-	278.041184	165.6
[M+NH4]+	297.082283	179.2
[M+K]+	318.011618	163.4
[M+H-H2O]+	262.045720	154.7
[M+HCOO]-	324.046661	170.5
[M+CH3COO]-	338.062311	172.1
[M+Na-2H]-	300.023126	161.1
[M]+	279.04791142	162.2
[M]-	279.04900858	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe