CID 2041467

Imidazo(2,1-b)thiazole, 5,6-dihydro-3-(3-chloro-4-propoxyphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H15ClN2OS
SMILES
CCCOC1=C(C=C(C=C1)C2=CSC3=NCCN23)Cl
InChI
InChI=1S/C14H15ClN2OS/c1-2-7-18-13-4-3-10(8-11(13)15)12-9-19-14-16-5-6-17(12)14/h3-4,8-9H,2,5-7H2,1H3
InChIKey
VWJJDNBPVIMITE-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

294.05936 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06664 167.1
[M+Na]+ 317.04858 178.2
[M-H]- 293.05208 173.0
[M+NH4]+ 312.09318 186.6
[M+K]+ 333.02252 172.8
[M+H-H2O]+ 277.05662 160.7
[M+HCOO]- 339.05756 179.6
[M+CH3COO]- 353.07321 179.5
[M+Na-2H]- 315.03403 165.8
[M]+ 294.05881 173.4
[M]- 294.05991 173.4
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