CID 54719424

65897-46-3

Structural Information

Molecular Formula
C14H11N3O4S
SMILES
C1=CC=C2C(=C1)C(=C(NS2(=O)=O)C(=O)NC3=CC=CC=N3)O
InChI
InChI=1S/C14H11N3O4S/c18-13-9-5-1-2-6-10(9)22(20,21)17-12(13)14(19)16-11-7-3-4-8-15-11/h1-8,17-18H,(H,15,16,19)
InChIKey
XRXYFCIBSPQECM-UHFFFAOYSA-N
Compound name
4-hydroxy-1,1-dioxo-N-pyridin-2-yl-2H-1lambda6,2-benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

317.04703 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05431 166.5
[M+Na]+ 340.03625 175.6
[M-H]- 316.03975 169.3
[M+NH4]+ 335.08085 179.8
[M+K]+ 356.01019 169.8
[M+H-H2O]+ 300.04429 158.9
[M+HCOO]- 362.04523 179.9
[M+CH3COO]- 376.06088 176.6
[M+Na-2H]- 338.02170 172.9
[M]+ 317.04648 166.6
[M]- 317.04758 166.6
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

patents stripe