CID 4400750

Dtxsid301340402

Structural Information

Molecular Formula
C16H16N6O6S2
SMILES
CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)N)N=NC3=C(C=CC(=C3)S(=O)(=O)N)O
InChI
InChI=1S/C16H16N6O6S2/c1-9-15(20-19-13-8-12(30(18,27)28)5-6-14(13)23)16(24)22(21-9)10-3-2-4-11(7-10)29(17,25)26/h2-8,21,23H,1H3,(H2,17,25,26)(H2,18,27,28)
InChIKey
VVFUHKZTFDINQQ-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[[5-methyl-3-oxo-2-(3-sulfamoylphenyl)-1H-pyrazol-4-yl]diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.05728 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.06456 199.8
[M+Na]+ 475.04650 206.9
[M+NH4]+ 470.09110 201.6
[M+K]+ 491.02044 203.9
[M-H]- 451.05000 201.6
[M+Na-2H]- 473.03195 204.7
[M]+ 452.05673 201.5
[M]- 452.05783 201.5
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

No patent data available for this compound.