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
1
Annotation Hits

0
References

0
Patents

407.0455 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.05278 193.7
[M+Na]+ 430.03472 204.1
[M-H]- 406.03822 203.4
[M+NH4]+ 425.07932 204.7
[M+K]+ 446.00866 198.1
[M+H-H2O]+ 390.04276 185.2
[M+HCOO]- 452.04370 209.4
[M+CH3COO]- 466.05935 226.5
[M+Na-2H]- 428.02017 195.0
[M]+ 407.04495 199.0
[M]- 407.04605 199.0
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.