CID 25526

C.i. acid yellow 61

Structural Information

Molecular Formula
C24H21Cl2N5O6S2
SMILES
CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)S(=O)(=O)NCCC3=CC=CC=C3)C4=CC(=C(C=C4Cl)S(=O)(=O)O)Cl
InChI
InChI=1S/C24H21Cl2N5O6S2/c1-15-23(24(32)31(30-15)21-13-20(26)22(14-19(21)25)39(35,36)37)29-28-17-8-5-9-18(12-17)38(33,34)27-11-10-16-6-3-2-4-7-16/h2-9,12-14,23,27H,10-11H2,1H3,(H,35,36,37)
InChIKey
CLYJCNKAUUSNMP-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-[3-methyl-5-oxo-4-[[3-(2-phenylethylsulfamoyl)phenyl]diazenyl]-4H-pyrazol-1-yl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

609.031 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.03828 238.5
[M+Na]+ 632.02022 250.0
[M+NH4]+ 627.06482 241.7
[M+K]+ 647.99416 242.0
[M-H]- 608.02372 243.2
[M+Na-2H]- 630.00567 245.9
[M]+ 609.03045 242.6
[M]- 609.03155 242.6
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.