CID 12337030

62019-75-4

Structural Information

Molecular Formula

C₁₄H₁₄ClNS

SMILES

C1CN(CC2=C1C=CS2)CC3=CC=CC=C3Cl

InChI

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

InChIKey

HPUZXEAFETYUCC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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]+	264.060836	157.3
[M+Na]+	286.042778	166.7
[M-H]-	262.046284	163.5
[M+NH4]+	281.087383	177.2
[M+K]+	302.016718	160.4
[M+H-H2O]+	246.050820	151.1
[M+HCOO]-	308.051761	168.7
[M+CH3COO]-	322.067411	169.5
[M+Na-2H]-	284.028226	158.8
[M]+	263.05301142	159.0
[M]-	263.05410858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe