CID 391251

Nsc690148

Structural Information

Molecular Formula

C₁₀H₆N₂OS₂

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)SC(=N3)N

InChI

InChI=1S/C10H6N2OS2/c11-10-12-7-8(13)5-3-1-2-4-6(5)14-9(7)15-10/h1-4H,(H2,11,12)

InChIKey

KCMPIQGYTKTECZ-UHFFFAOYSA-N

Compound name

2-aminothiochromeno[3,2-d][1,3]thiazol-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.99216 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]+	234.99944	142.1
[M+Na]+	256.98138	156.0
[M-H]-	232.98488	147.2
[M+NH4]+	252.02598	163.7
[M+K]+	272.95532	149.9
[M+H-H2O]+	216.98942	137.5
[M+HCOO]-	278.99036	157.3
[M+CH3COO]-	293.00601	156.3
[M+Na-2H]-	254.96683	147.5
[M]+	233.99161	146.9
[M]-	233.99271	146.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.