CID 5200347

3-(chloromethyl)-5h,6h-imidazo[2,1-b][1,3]thiazole hydrochloride

Structural Information

Molecular Formula
C6H7ClN2S
SMILES
C1CN2C(=CSC2=N1)CCl
InChI
InChI=1S/C6H7ClN2S/c7-3-5-4-10-6-8-1-2-9(5)6/h4H,1-3H2
InChIKey
UKRYSXRTNXOSCD-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

174.00185 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.00913 134.3
[M+Na]+ 196.99107 145.8
[M-H]- 172.99457 137.0
[M+NH4]+ 192.03567 158.4
[M+K]+ 212.96501 142.7
[M+H-H2O]+ 156.99911 129.2
[M+HCOO]- 219.00005 147.6
[M+CH3COO]- 233.01570 148.5
[M+Na-2H]- 194.97652 136.0
[M]+ 174.00130 137.7
[M]- 174.00240 137.7
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