CID 109240

Dtxsid60887298

Structural Information

Molecular Formula

C₁₆H₁₄ClN₅O₄S

SMILES

CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2O)S(=O)(=O)N)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H14ClN5O4S/c1-9-15(16(24)22(21-9)10-5-3-2-4-6-10)20-19-12-7-11(17)14(8-13(12)23)27(18,25)26/h2-8,15,23H,1H3,(H2,18,25,26)

InChIKey

GFUYIWVDOHOKRK-UHFFFAOYSA-N

Compound name

2-chloro-5-hydroxy-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 407.0455 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	408.052776	193.7
[M+Na]+	430.034718	204.1
[M-H]-	406.038224	203.4
[M+NH4]+	425.079323	204.7
[M+K]+	446.008658	198.1
[M+H-H2O]+	390.042760	185.2
[M+HCOO]-	452.043701	209.4
[M+CH3COO]-	466.059351	226.5
[M+Na-2H]-	428.020166	195.0
[M]+	407.04495142	199.0
[M]-	407.04604858	199.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.