CID 136768361

71598-27-1

Structural Information

Molecular Formula
C17H16N6O6S
SMILES
CC1=CC(=C(C(=C1)[N+](=O)[O-])O)N=NC2=C(NN(C2=O)C3=CC(=CC=C3)S(=O)(=O)N)C
InChI
InChI=1S/C17H16N6O6S/c1-9-6-13(16(24)14(7-9)23(26)27)19-20-15-10(2)21-22(17(15)25)11-4-3-5-12(8-11)30(18,28)29/h3-8,21,24H,1-2H3,(H2,18,28,29)
InChIKey
CDONXKQJYNLJLV-UHFFFAOYSA-N
Compound name
3-[4-[(2-hydroxy-5-methyl-3-nitrophenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.0852 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.092476 195.3
[M+Na]+ 455.074418 202.4
[M-H]- 431.077924 203.9
[M+NH4]+ 450.119023 202.2
[M+K]+ 471.048358 193.0
[M+H-H2O]+ 415.082460 190.1
[M+HCOO]- 477.083401 215.4
[M+CH3COO]- 491.099051 225.3
[M+Na-2H]- 453.059866 200.8
[M]+ 432.08465142 195.9
[M]- 432.08574858 195.9
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.