CID 3024443

Ethyl 1-methyl-3-sulfamoylpyrazole-4-carboxylate

Structural Information

Molecular Formula
C7H11N3O4S
SMILES
CCOC(=O)C1=CN(N=C1S(=O)(=O)N)C
InChI
InChI=1S/C7H11N3O4S/c1-3-14-7(11)5-4-10(2)9-6(5)15(8,12)13/h4H,3H2,1-2H3,(H2,8,12,13)
InChIKey
ILOBDJOVTOKINY-UHFFFAOYSA-N
Compound name
ethyl 1-methyl-3-sulfamoylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.04703 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05431 148.3
[M+Na]+ 256.03625 158.0
[M-H]- 232.03975 149.9
[M+NH4]+ 251.08085 165.6
[M+K]+ 272.01019 156.3
[M+H-H2O]+ 216.04429 142.0
[M+HCOO]- 278.04523 165.6
[M+CH3COO]- 292.06088 187.4
[M+Na-2H]- 254.02170 149.8
[M]+ 233.04648 152.7
[M]- 233.04758 152.7
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

patents stripe