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 168.9
[M+Na]+ 332.06756 176.3
[M-H]- 308.07106 173.7
[M+NH4]+ 327.11216 182.6
[M+K]+ 348.04150 173.7
[M+H-H2O]+ 292.07560 161.0
[M+HCOO]- 354.07654 185.6
[M+CH3COO]- 368.09219 201.3
[M+Na-2H]- 330.05301 171.0
[M]+ 309.07779 173.2
[M]- 309.07889 173.2
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.