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]+ 325.096506 172.5
[M+Na]+ 347.078448 181.2
[M-H]- 323.081954 177.8
[M+NH4]+ 342.123053 185.2
[M+K]+ 363.052388 179.2
[M+H-H2O]+ 307.086490 164.0
[M+HCOO]- 369.087431 189.3
[M+CH3COO]- 383.103081 207.8
[M+Na-2H]- 345.063896 174.3
[M]+ 324.08868142 179.4
[M]- 324.08977858 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.