CID 136144481

Einecs 261-794-4

Structural Information

Molecular Formula
C16H14ClN5O4S
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)O)C3=CC=CC=C3Cl
InChI
InChI=1S/C16H14ClN5O4S/c1-9-15(16(24)22(21-9)13-5-3-2-4-11(13)17)20-19-12-8-10(27(18,25)26)6-7-14(12)23/h2-8,15,23H,1H3,(H2,18,25,26)
InChIKey
XUEWLYJQTRLFJT-UHFFFAOYSA-N
Compound name
3-[[1-(2-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-hydroxybenzenesulfonamide
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 191.8
[M+Na]+ 430.03472 203.3
[M+NH4]+ 425.07932 196.7
[M+K]+ 446.00866 198.2
[M-H]- 406.03822 195.8
[M+Na-2H]- 428.02017 198.5
[M]+ 407.04495 195.0
[M]- 407.04605 195.0
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.