CID 9588860

Ethyl 3-((((4-nitrophenyl)methylene)hydrazino)sulfonyl)-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C13H13N5O6S
SMILES
CCOC(=O)C1=C(NN=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H13N5O6S/c1-2-24-13(19)11-8-14-16-12(11)25(22,23)17-15-7-9-3-5-10(6-4-9)18(20)21/h3-8,17H,2H2,1H3,(H,14,16)/b15-7+
InChIKey
RSOOBRBMGIUNGV-VIZOYTHASA-N
Compound name
ethyl 5-[[(E)-(4-nitrophenyl)methylideneamino]sulfamoyl]-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.05865 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.06593 174.4
[M+Na]+ 390.04787 182.2
[M+NH4]+ 385.09247 177.3
[M+K]+ 406.02181 182.7
[M-H]- 366.05137 175.1
[M+Na-2H]- 388.03332 178.6
[M]+ 367.05810 175.4
[M]- 367.05920 175.4
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.