CID 54738103

130262-92-9

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₅S₂

SMILES

CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=NC=C(S3)CO

InChI

InChI=1S/C14H13N3O5S2/c1-17-11(13(20)16-14-15-6-8(7-18)23-14)12(19)9-4-2-3-5-10(9)24(17,21)22/h2-6,18-19H,7H2,1H3,(H,15,16,20)

InChIKey

LOOSAJMIEADILV-UHFFFAOYSA-N

Compound name

4-hydroxy-N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 367.02966 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]+	368.036936	175.6
[M+Na]+	390.018878	185.6
[M-H]-	366.022384	178.5
[M+NH4]+	385.063483	189.4
[M+K]+	405.992818	179.6
[M+H-H2O]+	350.026920	170.3
[M+HCOO]-	412.027861	184.5
[M+CH3COO]-	426.043511	208.0
[M+Na-2H]-	388.004326	177.9
[M]+	367.02911142	180.1
[M]-	367.03020858	180.1

Literature stripe

literature stripe

Patent stripe

patents stripe