CID 281390

309963-14-2

Structural Information

Molecular Formula
C16H13N5O4S
SMILES
C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CNC(=O)C(=C3)O
InChI
InChI=1S/C16H13N5O4S/c22-14-9-12(10-18-16(14)23)20-19-11-4-6-13(7-5-11)26(24,25)21-15-3-1-2-8-17-15/h1-10,22H,(H,17,21)(H,18,23)
InChIKey
FDLLLPKSSLZELX-UHFFFAOYSA-N
Compound name
4-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

371.06882 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.07610 181.7
[M+Na]+ 394.05804 189.7
[M-H]- 370.06154 189.4
[M+NH4]+ 389.10264 190.0
[M+K]+ 410.03198 183.5
[M+H-H2O]+ 354.06608 171.2
[M+HCOO]- 416.06702 201.7
[M+CH3COO]- 430.08267 217.5
[M+Na-2H]- 392.04349 189.9
[M]+ 371.06827 182.9
[M]- 371.06937 182.9
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.