CID 3075390

178879-96-4

Structural Information

Molecular Formula
C12H14N4O4S
SMILES
CCOC(=O)C1=CN(N=C1S(=O)(=O)NC2=CN=CC=C2)C
InChI
InChI=1S/C12H14N4O4S/c1-3-20-12(17)10-8-16(2)14-11(10)21(18,19)15-9-5-4-6-13-7-9/h4-8,15H,3H2,1-2H3
InChIKey
IOURBNFPFSMFDX-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.07358 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08086 168.5
[M+Na]+ 333.06280 178.3
[M+NH4]+ 328.10740 172.8
[M+K]+ 349.03674 174.9
[M-H]- 309.06630 168.1
[M+Na-2H]- 331.04825 173.3
[M]+ 310.07303 169.8
[M]- 310.07413 169.8
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.