CID 54692128

24683-25-8

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₄S

SMILES

CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)N

InChI

InChI=1S/C10H10N2O4S/c1-12-8(10(11)14)9(13)6-4-2-3-5-7(6)17(12,15)16/h2-5,13H,1H3,(H2,11,14)

InChIKey

BBOFTHBIXOWDMA-UHFFFAOYSA-N

Compound name

4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 254.03613 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.043406	148.9
[M+Na]+	277.025348	159.4
[M-H]-	253.028854	151.1
[M+NH4]+	272.069953	167.2
[M+K]+	292.999288	155.6
[M+H-H2O]+	237.033390	143.6
[M+HCOO]-	299.034331	164.0
[M+CH3COO]-	313.049981	191.9
[M+Na-2H]-	275.010796	153.1
[M]+	254.03558142	150.9
[M]-	254.03667858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe