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]+ 187.06481 138.2
[M+Na]+ 209.04675 148.1
[M-H]- 185.05025 139.5
[M+NH4]+ 204.09135 157.2
[M+K]+ 225.02069 145.3
[M+H-H2O]+ 169.05479 131.5
[M+HCOO]- 231.05573 156.6
[M+CH3COO]- 245.07138 185.6
[M+Na-2H]- 207.03220 137.7
[M]+ 186.05698 138.6
[M]- 186.05808 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