CID 3051721

3,4-dihydro-2h,6h-(1,3)thiazolo(3,2-b)isoquinolin-6-one 1-oxide

Structural Information

Molecular Formula
C12H11NO2S
SMILES
C1CN2C(=CC3=CC=CC=C3C2=O)S(=O)C1
InChI
InChI=1S/C12H11NO2S/c14-12-10-5-2-1-4-9(10)8-11-13(12)6-3-7-16(11)15/h1-2,4-5,8H,3,6-7H2
InChIKey
PNKGEPLUNGUQCB-UHFFFAOYSA-N
Compound name
1-oxo-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

233.05106 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05834 144.5
[M+Na]+ 256.04028 154.7
[M-H]- 232.04378 148.8
[M+NH4]+ 251.08488 164.0
[M+K]+ 272.01422 150.1
[M+H-H2O]+ 216.04832 137.9
[M+HCOO]- 278.04926 159.3
[M+CH3COO]- 292.06491 157.4
[M+Na-2H]- 254.02573 150.9
[M]+ 233.05051 145.7
[M]- 233.05161 145.7
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