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
2
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]+ 433.09248 195.3
[M+Na]+ 455.07442 202.4
[M-H]- 431.07792 203.9
[M+NH4]+ 450.11902 202.2
[M+K]+ 471.04836 193.0
[M+H-H2O]+ 415.08246 190.1
[M+HCOO]- 477.08340 215.4
[M+CH3COO]- 491.09905 225.3
[M+Na-2H]- 453.05987 200.8
[M]+ 432.08465 195.9
[M]- 432.08575 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.