CID 3032684

18833-49-3

Structural Information

Molecular Formula

C₁₄H₁₅NS

SMILES

C1CCC2=C(CC1)NC3=CC=CC=C3C2=S

InChI

InChI=1S/C14H15NS/c16-14-10-6-2-1-3-8-12(10)15-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H,15,16)

InChIKey

YBOMISGYHLRBLJ-UHFFFAOYSA-N

Compound name

5,6,7,8,9,10-hexahydrocyclohepta[b]quinoline-11-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.09251 Da
Monoisotopic Mass: 3.9
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]+	230.099786	148.2
[M+Na]+	252.081728	154.8
[M-H]-	228.085234	151.8
[M+NH4]+	247.126333	165.9
[M+K]+	268.055668	152.7
[M+H-H2O]+	212.089770	143.3
[M+HCOO]-	274.090711	160.1
[M+CH3COO]-	288.106361	159.0
[M+Na-2H]-	250.067176	152.9
[M]+	229.09196142	142.8
[M]-	229.09305858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.