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

9
Patents

197.00813 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.015406 137.7
[M+Na]+ 219.997348 150.8
[M-H]- 196.000854 141.0
[M+NH4]+ 215.041953 160.3
[M+K]+ 235.971288 146.6
[M+H-H2O]+ 180.005390 133.0
[M+HCOO]- 242.006331 152.2
[M+CH3COO]- 256.021981 151.9
[M+Na-2H]- 217.982796 137.6
[M]+ 197.00758142 141.5
[M]- 197.00867858 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