CID 16790119

6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide

Structural Information

Molecular Formula
C7H7N3S2
SMILES
CC1=C(N2C=CSC2=N1)C(=S)N
InChI
InChI=1S/C7H7N3S2/c1-4-5(6(8)11)10-2-3-12-7(10)9-4/h2-3H,1H3,(H2,8,11)
InChIKey
VGDQUXAYRAZUGT-UHFFFAOYSA-N
Compound name
6-methylimidazo[2,1-b][1,3]thiazole-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

197.00813 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.01541 137.7
[M+Na]+ 219.99735 150.8
[M-H]- 196.00085 141.0
[M+NH4]+ 215.04195 160.3
[M+K]+ 235.97129 146.6
[M+H-H2O]+ 180.00539 133.0
[M+HCOO]- 242.00633 152.2
[M+CH3COO]- 256.02198 151.9
[M+Na-2H]- 217.98280 137.6
[M]+ 197.00758 141.5
[M]- 197.00868 141.5
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