CID 44152479

130032-94-9

Structural Information

Molecular Formula
C24H19N5O7S
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)C(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C24H19N5O7S/c1-14-21(22(30)29(27-14)15-7-3-2-4-8-15)26-25-19-12-11-16(13-18(19)24(33)34)37(35,36)28-20-10-6-5-9-17(20)23(31)32/h2-13,21,28H,1H3,(H,31,32)(H,33,34)
InChIKey
NZGSEOLBDNPWIT-UHFFFAOYSA-N
Compound name
5-[(2-carboxyphenyl)sulfamoyl]-2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.1005 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.10778 215.7
[M+Na]+ 544.08972 225.1
[M+NH4]+ 539.13432 217.4
[M+K]+ 560.06366 222.4
[M-H]- 520.09322 219.8
[M+Na-2H]- 542.07517 223.1
[M]+ 521.09995 218.0
[M]- 521.10105 218.0
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.