CID 3051720

2,3-dihydro-5h-thiazolo(3,2-b)isoquinolin-5-one 1-oxide

Structural Information

Molecular Formula

C₁₁H₉NO₂S

SMILES

C1CS(=O)C2=CC3=CC=CC=C3C(=O)N21

InChI

InChI=1S/C11H9NO2S/c13-11-9-4-2-1-3-8(9)7-10-12(11)5-6-15(10)14/h1-4,7H,5-6H2

InChIKey

LGKPUHWQEVQQAR-UHFFFAOYSA-N

Compound name

1-oxo-2,3-dihydro-[1,3]thiazolo[3,2-b]isoquinolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 219.0354 Da
Monoisotopic Mass: 0.6
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]+	220.042676	142.2
[M+Na]+	242.024618	154.2
[M-H]-	218.028124	147.4
[M+NH4]+	237.069223	164.5
[M+K]+	257.998558	149.9
[M+H-H2O]+	202.032660	136.9
[M+HCOO]-	264.033601	159.7
[M+CH3COO]-	278.049251	156.4
[M+Na-2H]-	240.010066	147.0
[M]+	219.03485142	145.6
[M]-	219.03594858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe