CID 16049859

Chembl219823

Structural Information

Molecular Formula
C14H11NO3S
SMILES
CC1=C(N(C2=C(S1)C(=O)C3=CC=CC=C3C2=O)C)O
InChI
InChI=1S/C14H11NO3S/c1-7-14(18)15(2)10-11(16)8-5-3-4-6-9(8)12(17)13(10)19-7/h3-6,18H,1-2H3
InChIKey
YPZNTRCMHDEZFN-UHFFFAOYSA-N
Compound name
3-hydroxy-2,4-dimethylbenzo[g][1,4]benzothiazine-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

273.04596 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.05324 154.9
[M+Na]+ 296.03518 169.2
[M-H]- 272.03868 159.8
[M+NH4]+ 291.07978 173.0
[M+K]+ 312.00912 163.4
[M+H-H2O]+ 256.04322 148.6
[M+HCOO]- 318.04416 171.8
[M+CH3COO]- 332.05981 168.6
[M+Na-2H]- 294.02063 160.7
[M]+ 273.04541 161.9
[M]- 273.04651 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.