CID 1349907

Methimazole

Structural Information

Molecular Formula
C4H6N2S
SMILES
CN1C=CNC1=S
InChI
InChI=1S/C4H6N2S/c1-6-3-2-5-4(6)7/h2-3H,1H3,(H,5,7)
InChIKey
PMRYVIKBURPHAH-UHFFFAOYSA-N
Compound name
3-methyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

4128
References

16137
Patents

114.02517 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 118.3
[M+Na]+ 137.01439 129.4
[M-H]- 113.01789 119.1
[M+NH4]+ 132.05899 140.6
[M+K]+ 152.98833 126.6
[M+H-H2O]+ 97.022430 112.9
[M+HCOO]- 159.02337 136.2
[M+CH3COO]- 173.03902 163.3
[M+Na-2H]- 134.99984 121.7
[M]+ 114.02462 118.3
[M]- 114.02572 118.3
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

patents stripe