CID 2821732

Maybridge4_002773

Structural Information

Molecular Formula
C6H10N4OS
SMILES
CN1C(=CN=C1SC)C(=O)NN
InChI
InChI=1S/C6H10N4OS/c1-10-4(5(11)9-7)3-8-6(10)12-2/h3H,7H2,1-2H3,(H,9,11)
InChIKey
NSNZNXCXOFJFDT-UHFFFAOYSA-N
Compound name
3-methyl-2-methylsulfanylimidazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

186.05753 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.064806 138.1
[M+Na]+ 209.046748 147.2
[M-H]- 185.050254 139.6
[M+NH4]+ 204.091353 157.2
[M+K]+ 225.020688 144.8
[M+H-H2O]+ 169.054790 131.1
[M+HCOO]- 231.055731 157.2
[M+CH3COO]- 245.071381 184.3
[M+Na-2H]- 207.032196 139.4
[M]+ 186.05698142 139.1
[M]- 186.05807858 139.1
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.