CID 9588858

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

Structural Information

Molecular Formula
C13H13ClN4O4S
SMILES
CCOC(=O)C1=C(NN=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H13ClN4O4S/c1-2-22-13(19)11-8-15-17-12(11)23(20,21)18-16-7-9-3-5-10(14)6-4-9/h3-8,18H,2H2,1H3,(H,15,17)/b16-7+
InChIKey
ZWBZPUQHYIBNDU-FRKPEAEDSA-N
Compound name
ethyl 5-[[(E)-(4-chlorophenyl)methylideneamino]sulfamoyl]-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0346 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.04188 178.1
[M+Na]+ 379.02382 187.5
[M+NH4]+ 374.06842 182.5
[M+K]+ 394.99776 183.0
[M-H]- 355.02732 178.5
[M+Na-2H]- 377.00927 182.9
[M]+ 356.03405 179.8
[M]- 356.03515 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.