CID 3075396

178880-02-9

Structural Information

Molecular Formula
C13H16N4O4S
SMILES
CCOC(=O)C1=CN(N=C1S(=O)(=O)N(C)C2=CC=CC=N2)C
InChI
InChI=1S/C13H16N4O4S/c1-4-21-13(18)10-9-16(2)15-12(10)22(19,20)17(3)11-7-5-6-8-14-11/h5-9H,4H2,1-3H3
InChIKey
WAGWOIHAQQCHGF-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-3-[methyl(pyridin-2-yl)sulfamoyl]pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.08923 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09651 172.5
[M+Na]+ 347.07845 181.2
[M-H]- 323.08195 177.8
[M+NH4]+ 342.12305 185.2
[M+K]+ 363.05239 179.2
[M+H-H2O]+ 307.08649 164.0
[M+HCOO]- 369.08743 189.3
[M+CH3COO]- 383.10308 207.8
[M+Na-2H]- 345.06390 174.3
[M]+ 324.08868 179.4
[M]- 324.08978 179.4
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.