CID 136002742

Cobaltate(1-), bis(3-((1-(2,5-dichlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-4-yl)azo)-4-hydroxybenzenesulfonamidato(2-))-, sodium

Structural Information

Molecular Formula
C16H13Cl2N5O4S
SMILES
CC1=C(C(=O)N(N1)C2=C(C=CC(=C2)Cl)Cl)N=NC3=C(C=CC(=C3)S(=O)(=O)N)O
InChI
InChI=1S/C16H13Cl2N5O4S/c1-8-15(16(25)23(22-8)13-6-9(17)2-4-11(13)18)21-20-12-7-10(28(19,26)27)3-5-14(12)24/h2-7,22,24H,1H3,(H2,19,26,27)
InChIKey
MKSOFDNHRHLFRN-UHFFFAOYSA-N
Compound name
3-[[2-(2,5-dichlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

441.00653 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.01381 199.8
[M+Na]+ 463.99575 212.4
[M+NH4]+ 459.04035 204.4
[M+K]+ 479.96969 206.6
[M-H]- 439.99925 203.4
[M+Na-2H]- 461.98120 206.0
[M]+ 441.00598 203.3
[M]- 441.00708 203.3
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.