CID 18734721

5-amino-1-methyl-3-(methylsulfanyl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C6H10N4OS
SMILES
CN1C(=C(C(=N1)SC)C(=O)N)N
InChI
InChI=1S/C6H10N4OS/c1-10-4(7)3(5(8)11)6(9-10)12-2/h7H2,1-2H3,(H2,8,11)
InChIKey
MRKQONLWSZEGSW-UHFFFAOYSA-N
Compound name
5-amino-1-methyl-3-methylsulfanylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.05753 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.064806 138.2
[M+Na]+ 209.046748 148.1
[M-H]- 185.050254 139.5
[M+NH4]+ 204.091353 157.2
[M+K]+ 225.020688 145.3
[M+H-H2O]+ 169.054790 131.5
[M+HCOO]- 231.055731 156.6
[M+CH3COO]- 245.071381 185.6
[M+Na-2H]- 207.032196 137.7
[M]+ 186.05698142 138.6
[M]- 186.05807858 138.6
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