CID 3074081

155144-44-8

Structural Information

Molecular Formula
C13H15N3O4S
SMILES
CCOC(=O)C1=C(NN=C1)S(=O)(=O)N(C)C2=CC=CC=C2
InChI
InChI=1S/C13H15N3O4S/c1-3-20-13(17)11-9-14-15-12(11)21(18,19)16(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,15)
InChIKey
RDWVJTNHHWOXBA-UHFFFAOYSA-N
Compound name
ethyl 5-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.07834 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08562 167.9
[M+Na]+ 332.06756 177.1
[M+NH4]+ 327.11216 172.8
[M+K]+ 348.04150 173.8
[M-H]- 308.07106 168.1
[M+Na-2H]- 330.05301 173.0
[M]+ 309.07779 169.3
[M]- 309.07889 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.