CID 22839

25739-67-7

Structural Information

Molecular Formula
C23H21N5O6S2
SMILES
CC1=C(C=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C)S(=O)(=O)NC4=CC=CC=C4
InChI
InChI=1S/C23H21N5O6S2/c1-15-8-9-18(14-21(15)35(30,31)27-17-6-4-3-5-7-17)24-25-22-16(2)26-28(23(22)29)19-10-12-20(13-11-19)36(32,33)34/h3-14,22,27H,1-2H3,(H,32,33,34)
InChIKey
DNNYNDQWWWDTPP-UHFFFAOYSA-N
Compound name
4-[3-methyl-4-[[4-methyl-3-(phenylsulfamoyl)phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

693
Patents

527.0933 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.10058 218.7
[M+Na]+ 550.08252 228.9
[M+NH4]+ 545.12712 221.7
[M+K]+ 566.05646 222.9
[M-H]- 526.08602 223.5
[M+Na-2H]- 548.06797 227.2
[M]+ 527.09275 222.1
[M]- 527.09385 222.1
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

patents stripe