CID 9589504

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

Structural Information

Molecular Formula
C13H14N4O4S
SMILES
CCOC(=O)C1=C(NN=C1)S(=O)(=O)N/N=C/C2=CC=CC=C2
InChI
InChI=1S/C13H14N4O4S/c1-2-21-13(18)11-9-14-16-12(11)22(19,20)17-15-8-10-6-4-3-5-7-10/h3-9,17H,2H2,1H3,(H,14,16)/b15-8+
InChIKey
ZRHPRQXMMZNCDC-OVCLIPMQSA-N
Compound name
ethyl 5-[[(E)-benzylideneamino]sulfamoyl]-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.07358 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08086 171.2
[M+Na]+ 345.06280 179.4
[M+NH4]+ 340.10740 175.4
[M+K]+ 361.03674 175.7
[M-H]- 321.06630 171.5
[M+Na-2H]- 343.04825 176.2
[M]+ 322.07303 172.3
[M]- 322.07413 172.3
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.