CID 17599099

1010863-54-3

Structural Information

Molecular Formula
C10H15N3O4S
SMILES
CCOC(=O)C1=C(N(N=C1)C2CCS(=O)(=O)C2)N
InChI
InChI=1S/C10H15N3O4S/c1-2-17-10(14)8-5-12-13(9(8)11)7-3-4-18(15,16)6-7/h5,7H,2-4,6,11H2,1H3
InChIKey
PCEDSNDHNRHRTL-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.07834 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08562 160.3
[M+Na]+ 296.06756 167.4
[M+NH4]+ 291.11216 166.9
[M+K]+ 312.04150 164.4
[M-H]- 272.07106 159.9
[M+Na-2H]- 294.05301 163.6
[M]+ 273.07779 161.2
[M]- 273.07889 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.