CID 136160604

Cobaltate(3-), bis(4-(4-((4-(4-((5-(aminosulfonyl)-2-hydroxyphenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)benzenesulfonato(3-))-, trisodium

Structural Information

Molecular Formula
C26H23N9O8S2
SMILES
CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)N3C(=O)C(C(=N3)C)N=NC4=C(C=C(C=C4)S(=O)(=O)N)O)C5=CC=C(C=C5)S(=O)(=O)O
InChI
InChI=1S/C26H23N9O8S2/c1-14-23(25(37)35(32-14)18-7-9-19(10-8-18)45(41,42)43)30-28-16-3-5-17(6-4-16)34-26(38)24(15(2)33-34)31-29-21-12-11-20(13-22(21)36)44(27,39)40/h3-13,23-24,36H,1-2H3,(H2,27,39,40)(H,41,42,43)
InChIKey
ACDNEBIZTQSLDN-UHFFFAOYSA-N
Compound name
4-[4-[[4-[4-[(2-hydroxy-4-sulfamoylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

653.1111 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 654.11838 239.6
[M+Na]+ 676.10032 251.0
[M-H]- 652.10382 237.1
[M+NH4]+ 671.14492 243.6
[M+K]+ 692.07426 241.9
[M+H-H2O]+ 636.10836 239.7
[M+HCOO]- 698.10930 244.9
[M+CH3COO]- 712.12495 277.4
[M+Na-2H]- 674.08577 249.1
[M]+ 653.11055 269.2
[M]- 653.11165 269.2
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.