CID 3051722

2h,6h-(1,3)thiazino(3,2-b)isoquinolin-6-one, 3,4-dihydro-, 1,1-dioxide

Structural Information

Molecular Formula
C12H11NO3S
SMILES
C1CN2C(=CC3=CC=CC=C3C2=O)S(=O)(=O)C1
InChI
InChI=1S/C12H11NO3S/c14-12-10-5-2-1-4-9(10)8-11-13(12)6-3-7-17(11,15)16/h1-2,4-5,8H,3,6-7H2
InChIKey
DZCOGWVTGHUYBS-UHFFFAOYSA-N
Compound name
1,1-dioxo-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

249.04596 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05324 147.9
[M+Na]+ 272.03518 159.1
[M-H]- 248.03868 152.4
[M+NH4]+ 267.07978 168.6
[M+K]+ 288.00912 154.7
[M+H-H2O]+ 232.04322 141.5
[M+HCOO]- 294.04416 163.0
[M+CH3COO]- 308.05981 161.0
[M+Na-2H]- 270.02063 155.7
[M]+ 249.04541 150.3
[M]- 249.04651 150.3
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