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 178.4
[M+Na]+ 379.02382 186.8
[M-H]- 355.02732 183.4
[M+NH4]+ 374.06842 191.0
[M+K]+ 394.99776 181.4
[M+H-H2O]+ 339.03186 170.8
[M+HCOO]- 401.03280 192.5
[M+CH3COO]- 415.04845 209.0
[M+Na-2H]- 377.00927 181.1
[M]+ 356.03405 183.9
[M]- 356.03515 183.9
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.