CID 112568

63123-39-7

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂S₂

SMILES

CC(=O)SCC(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C11H10N2O2S2/c1-7(14)16-6-10(15)13-11-12-8-4-2-3-5-9(8)17-11/h2-5H,6H2,1H3,(H,12,13,15)

InChIKey

GQPQOIREORTKLO-UHFFFAOYSA-N

Compound name

S-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ethanethioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 7
Patents: 266.01837 Da
Monoisotopic Mass: 2.3
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]+	267.02565	155.4
[M+Na]+	289.00759	165.7
[M+NH4]+	284.05219	163.5
[M+K]+	304.98153	158.1
[M-H]-	265.01109	157.0
[M+Na-2H]-	286.99304	159.7
[M]+	266.01782	158.1
[M]-	266.01892	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe