CID 3061153

2,3-dihydro-5h,10bh-thiazolo(3,2-c)(1,3)benzoxazin-5-one

Structural Information

Molecular Formula

C₁₀H₉NO₂S

SMILES

C1CSC2N1C(=O)OC3=CC=CC=C23

InChI

InChI=1S/C10H9NO2S/c12-10-11-5-6-14-9(11)7-3-1-2-4-8(7)13-10/h1-4,9H,5-6H2

InChIKey

WBIRBMWKTMVLSP-UHFFFAOYSA-N

Compound name

3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 207.0354 Da
Monoisotopic Mass: 1.8
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]+	208.042676	139.0
[M+Na]+	230.024618	148.5
[M-H]-	206.028124	143.9
[M+NH4]+	225.069223	160.1
[M+K]+	245.998558	146.5
[M+H-H2O]+	190.032660	133.9
[M+HCOO]-	252.033601	153.2
[M+CH3COO]-	266.049251	152.5
[M+Na-2H]-	228.010066	143.9
[M]+	207.03485142	140.1
[M]-	207.03594858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe