CID 54684780

W7477

Structural Information

Molecular Formula
C16H14N2O4S
SMILES
CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C16H14N2O4S/c1-18-14(16(20)17-11-7-3-2-4-8-11)15(19)12-9-5-6-10-13(12)23(18,21)22/h2-10,19H,1H3,(H,17,20)
InChIKey
PGUHYTRMLNGOQQ-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methyl-1,1-dioxo-N-phenyl-1lambda6,2-benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

330.0674 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07468 171.0
[M+Na]+ 353.05662 180.4
[M-H]- 329.06012 176.5
[M+NH4]+ 348.10122 186.0
[M+K]+ 369.03056 175.3
[M+H-H2O]+ 313.06466 163.4
[M+HCOO]- 375.06560 186.3
[M+CH3COO]- 389.08125 205.8
[M+Na-2H]- 351.04207 175.9
[M]+ 330.06685 173.4
[M]- 330.06795 173.4
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

patents stripe