CID 71366161

Norchlorprothixene

Structural Information

Molecular Formula

C₁₇H₁₆ClNS

SMILES

CNCCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C17H16ClNS/c1-19-10-4-6-13-14-5-2-3-7-16(14)20-17-9-8-12(18)11-15(13)17/h2-3,5-9,11,19H,4,10H2,1H3

InChIKey

MFNIWJBWDRDXPK-UHFFFAOYSA-N

Compound name

3-(2-chlorothioxanthen-9-ylidene)-N-methylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2
Patents: 301.06918 Da
Monoisotopic Mass: 4.7
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]+	302.076456	164.3
[M+Na]+	324.058398	173.3
[M-H]-	300.061904	169.2
[M+NH4]+	319.103003	183.2
[M+K]+	340.032338	165.4
[M+H-H2O]+	284.066440	158.6
[M+HCOO]-	346.067381	176.0
[M+CH3COO]-	360.083031	175.7
[M+Na-2H]-	322.043846	169.1
[M]+	301.06863142	167.4
[M]-	301.06972858	167.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.