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

3
Patents

219.0354 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.04268 142.2
[M+Na]+ 242.02462 154.2
[M-H]- 218.02812 147.4
[M+NH4]+ 237.06922 164.5
[M+K]+ 257.99856 149.9
[M+H-H2O]+ 202.03266 136.9
[M+HCOO]- 264.03360 159.7
[M+CH3COO]- 278.04925 156.4
[M+Na-2H]- 240.01007 147.0
[M]+ 219.03485 145.6
[M]- 219.03595 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe