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 177.3
[M+Na]+ 390.04787 182.2
[M-H]- 366.05137 182.1
[M+NH4]+ 385.09247 186.9
[M+K]+ 406.02181 174.6
[M+H-H2O]+ 350.05591 172.9
[M+HCOO]- 412.05685 196.7
[M+CH3COO]- 426.07250 206.0
[M+Na-2H]- 388.03332 184.3
[M]+ 367.05810 178.1
[M]- 367.05920 178.1
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.