CID 3061149

78760-46-0

Structural Information

Molecular Formula

C₁₀H₉NOS₂

SMILES

C1CSC2N1C(=S)OC3=CC=CC=C23

InChI

InChI=1S/C10H9NOS2/c13-10-11-5-6-14-9(11)7-3-1-2-4-8(7)12-10/h1-4,9H,5-6H2

InChIKey

APTIBMIGRPMQLW-UHFFFAOYSA-N

Compound name

3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 223.01256 Da
Monoisotopic Mass: 2.4
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]+	224.01984	140.8
[M+Na]+	246.00178	151.0
[M-H]-	222.00528	145.4
[M+NH4]+	241.04638	161.7
[M+K]+	261.97572	147.7
[M+H-H2O]+	206.00982	136.7
[M+HCOO]-	268.01076	149.8
[M+CH3COO]-	282.02641	153.7
[M+Na-2H]-	243.98723	144.0
[M]+	223.01201	141.9
[M]-	223.01311	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe