CID 613488

294668-48-7

Structural Information

Molecular Formula

C₁₀H₇NOS₂

SMILES

CC1=NC2=C(S1)C=C(C3=C2SC=C3)O

InChI

InChI=1S/C10H7NOS2/c1-5-11-9-8(14-5)4-7(12)6-2-3-13-10(6)9/h2-4,12H,1H3

InChIKey

CKCVIZASFQSRBN-UHFFFAOYSA-N

Compound name

2-methylthieno[2,3-e][1,3]benzothiazol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 220.9969 Da
Monoisotopic Mass: 3.4
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]+	222.00418	142.2
[M+Na]+	243.98612	156.4
[M+NH4]+	239.03072	153.1
[M+K]+	259.96006	148.7
[M-H]-	219.98962	145.3
[M+Na-2H]-	241.97157	147.5
[M]+	220.99635	146.3
[M]-	220.99745	146.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.