CID 9588859

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

Structural Information

Molecular Formula
C14H13N5O4S
SMILES
CCOC(=O)C1=C(NN=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H13N5O4S/c1-2-23-14(20)12-9-16-18-13(12)24(21,22)19-17-8-11-5-3-10(7-15)4-6-11/h3-6,8-9,19H,2H2,1H3,(H,16,18)/b17-8+
InChIKey
GOZJQBZVLYOXNB-CAOOACKPSA-N
Compound name
ethyl 5-[[(E)-(4-cyanophenyl)methylideneamino]sulfamoyl]-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.06882 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.07610 176.1
[M+Na]+ 370.05804 183.9
[M+NH4]+ 365.10264 176.7
[M+K]+ 386.03198 177.1
[M-H]- 346.06154 169.0
[M+Na-2H]- 368.04349 177.9
[M]+ 347.06827 174.2
[M]- 347.06937 174.2
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.