CID 138401825

72391-07-2

Structural Information

Molecular Formula
C20H17N5O7S2
SMILES
CC1=C(C(=O)N(N1)C2=CC(=CC=C2)S(=O)(=O)N)N=NC3=CC=CC4=C(C=CC(=C43)O)S(=O)(=O)O
InChI
InChI=1S/C20H17N5O7S2/c1-11-19(20(27)25(24-11)12-4-2-5-13(10-12)33(21,28)29)23-22-15-7-3-6-14-17(34(30,31)32)9-8-16(26)18(14)15/h2-10,24,26H,1H3,(H2,21,28,29)(H,30,31,32)
InChIKey
UUQJWAUWRCELEO-UHFFFAOYSA-N
Compound name
4-hydroxy-5-[[5-methyl-3-oxo-2-(3-sulfamoylphenyl)-1H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.05695 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.06423 212.3
[M+Na]+ 526.04617 222.3
[M+NH4]+ 521.09077 214.6
[M+K]+ 542.02011 217.9
[M-H]- 502.04967 214.6
[M+Na-2H]- 524.03162 218.2
[M]+ 503.05640 214.9
[M]- 503.05750 214.9
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.