CID 3023608

94109-71-4

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂S₂

SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CS

InChI

InChI=1S/C11H12N2O2S2/c1-2-15-7-3-4-8-9(5-7)17-11(12-8)13-10(14)6-16/h3-5,16H,2,6H2,1H3,(H,12,13,14)

InChIKey

PENUZPQXEOSXGJ-UHFFFAOYSA-N

Compound name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-sulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 268.03403 Da
Monoisotopic Mass: 2.9
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]+	269.041306	155.0
[M+Na]+	291.023248	165.3
[M-H]-	267.026754	158.8
[M+NH4]+	286.067853	174.1
[M+K]+	306.997188	160.7
[M+H-H2O]+	251.031290	149.2
[M+HCOO]-	313.032231	169.5
[M+CH3COO]-	327.047881	195.9
[M+Na-2H]-	289.008696	157.2
[M]+	268.03348142	162.0
[M]-	268.03457858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe