CID 3075392

178879-98-6

Structural Information

Molecular Formula
C13H16N4O4S
SMILES
CCOC(=O)C1=CN(N=C1S(=O)(=O)N(C)C2=CN=CC=C2)C
InChI
InChI=1S/C13H16N4O4S/c1-4-21-13(18)11-9-16(2)15-12(11)22(19,20)17(3)10-6-5-7-14-8-10/h5-9H,4H2,1-3H3
InChIKey
WEDRPWBCHPXYQQ-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08923 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09651 171.7
[M+Na]+ 347.07845 181.5
[M+NH4]+ 342.12305 176.1
[M+K]+ 363.05239 178.4
[M-H]- 323.08195 171.6
[M+Na-2H]- 345.06390 176.7
[M]+ 324.08868 173.1
[M]- 324.08978 173.1
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.