CID 281432

Nsc134215

Structural Information

Molecular Formula
C14H11N5O4S2
SMILES
C1=CC(=CC=C1N=NC2=CNC(=O)C(=C2)O)S(=O)(=O)NC3=NC=CS3
InChI
InChI=1S/C14H11N5O4S2/c20-12-7-10(8-16-13(12)21)18-17-9-1-3-11(4-2-9)25(22,23)19-14-15-5-6-24-14/h1-8,20H,(H,15,19)(H,16,21)
InChIKey
POQNQKNTISYENR-UHFFFAOYSA-N
Compound name
4-[(5-hydroxy-6-oxo-1H-pyridin-3-yl)diazenyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

377.02524 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.03252 181.6
[M+Na]+ 400.01446 190.7
[M-H]- 376.01796 189.5
[M+NH4]+ 395.05906 192.1
[M+K]+ 415.98840 183.7
[M+H-H2O]+ 360.02250 173.2
[M+HCOO]- 422.02344 197.9
[M+CH3COO]- 436.03909 215.3
[M+Na-2H]- 397.99991 187.1
[M]+ 377.02469 184.1
[M]- 377.02579 184.1
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.