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]+ 311.080856 168.8
[M+Na]+ 333.062798 177.8
[M-H]- 309.066304 172.7
[M+NH4]+ 328.107403 181.4
[M+K]+ 349.036738 174.5
[M+H-H2O]+ 293.070840 160.5
[M+HCOO]- 355.071781 185.4
[M+CH3COO]- 369.087431 201.6
[M+Na-2H]- 331.048246 171.5
[M]+ 310.07303142 174.0
[M]- 310.07412858 174.0
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.