CID 1612034

130623-64-2

Structural Information

Molecular Formula
C14H15BrN2OS
SMILES
CCCOC1=C(C=C(C=C1)Br)C2=CSC3=NCCN23
InChI
InChI=1S/C14H15BrN2OS/c1-2-7-18-13-4-3-10(15)8-11(13)12-9-19-14-16-5-6-17(12)14/h3-4,8-9H,2,5-7H2,1H3
InChIKey
UPYVUILNRFRLEC-UHFFFAOYSA-N
Compound name
3-(5-bromo-2-propoxyphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.00885 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.01613 164.9
[M+Na]+ 360.99807 178.9
[M-H]- 337.00157 173.8
[M+NH4]+ 356.04267 185.9
[M+K]+ 376.97201 167.4
[M+H-H2O]+ 321.00611 165.4
[M+HCOO]- 383.00705 180.7
[M+CH3COO]- 397.02270 179.6
[M+Na-2H]- 358.98352 166.4
[M]+ 338.00830 188.0
[M]- 338.00940 188.0
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

No patent data available for this compound.