CID 43976

Brn 1223069

Structural Information

Molecular Formula

C₁₄H₁₇ClN₂O₃S

SMILES

C1COCCN1CCNC2=C(S(=O)(=O)C3=CC=CC=C32)Cl

InChI

InChI=1S/C14H17ClN2O3S/c15-14-13(16-5-6-17-7-9-20-10-8-17)11-3-1-2-4-12(11)21(14,18)19/h1-4,16H,5-10H2

InChIKey

YVEJGOYXUQXGFF-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-morpholin-4-ylethyl)-1,1-dioxo-1-benzothiophen-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 328.06485 Da
Monoisotopic Mass: 1.5
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]+	329.072126	169.8
[M+Na]+	351.054068	179.0
[M-H]-	327.057574	176.7
[M+NH4]+	346.098673	187.3
[M+K]+	367.028008	174.6
[M+H-H2O]+	311.062110	164.0
[M+HCOO]-	373.063051	180.9
[M+CH3COO]-	387.078701	181.3
[M+Na-2H]-	349.039516	173.1
[M]+	328.06430142	173.6
[M]-	328.06539858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.