CID 369523

126598-39-8

Structural Information

Molecular Formula
C11H9N3O3S
SMILES
CN1C(=O)C2=C(C=N1)S(=O)(=O)C3=CC=CC=C3N2
InChI
InChI=1S/C11H9N3O3S/c1-14-11(15)10-9(6-12-14)18(16,17)8-5-3-2-4-7(8)13-10/h2-6,13H,1H3
InChIKey
YKNVKHAYVZQLNM-UHFFFAOYSA-N
Compound name
2-methyl-5,5-dioxo-10H-pyridazino[4,5-b][1,4]benzothiazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.03647 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.04375 155.1
[M+Na]+ 286.02569 170.2
[M+NH4]+ 281.07029 163.8
[M+K]+ 301.99963 159.9
[M-H]- 262.02919 155.7
[M+Na-2H]- 284.01114 161.6
[M]+ 263.03592 158.0
[M]- 263.03702 158.0
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

No patent data available for this compound.