CID 10041551

Norzotepine

Structural Information

Molecular Formula

C₁₇H₁₆ClNOS

SMILES

CNCCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C17H16ClNOS/c1-19-8-9-20-15-10-12-4-2-3-5-16(12)21-17-7-6-13(18)11-14(15)17/h2-7,10-11,19H,8-9H2,1H3

InChIKey

OVVBIIBBRZVPAL-UHFFFAOYSA-N

Compound name

2-(3-chlorobenzo[b][1]benzothiepin-5-yl)oxy-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 8
Patents: 317.06412 Da
Monoisotopic Mass: 4.4
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]+	318.07140	169.1
[M+Na]+	340.05334	177.6
[M-H]-	316.05684	175.5
[M+NH4]+	335.09794	186.4
[M+K]+	356.02728	175.9
[M+H-H2O]+	300.06138	164.5
[M+HCOO]-	362.06232	182.2
[M+CH3COO]-	376.07797	180.4
[M+Na-2H]-	338.03879	174.3
[M]+	317.06357	172.3
[M]-	317.06467	172.3

Literature stripe

literature stripe

Patent stripe

patents stripe