CID 135849774

Sodium bis(3-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1h-pyrazol-1-yl)benzenesulphonamidato(2-))cobaltate(1-)

Structural Information

Molecular Formula
C16H14N6O6S
SMILES
CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)N)N=NC3=C(C=CC(=C3)[N+](=O)[O-])O
InChI
InChI=1S/C16H14N6O6S/c1-9-15(19-18-13-8-11(22(25)26)4-7-14(13)23)16(24)21(20-9)10-2-5-12(6-3-10)29(17,27)28/h2-8,20,23H,1H3,(H2,17,27,28)
InChIKey
SVZJNWCVIOHDNO-UHFFFAOYSA-N
Compound name
4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

418.06955 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.07683 190.0
[M+Na]+ 441.05877 196.8
[M-H]- 417.06227 198.5
[M+NH4]+ 436.10337 197.2
[M+K]+ 457.03271 187.5
[M+H-H2O]+ 401.06681 184.8
[M+HCOO]- 463.06775 210.6
[M+CH3COO]- 477.08340 221.1
[M+Na-2H]- 439.04422 196.7
[M]+ 418.06900 189.9
[M]- 418.07010 189.9
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.