CID 155822374

5-bromo-2,6-dimethylimidazo[2,1-b][1,3]thiazole

Structural Information

Molecular Formula
C7H7BrN2S
SMILES
CC1=CN2C(=C(N=C2S1)C)Br
InChI
InChI=1S/C7H7BrN2S/c1-4-3-10-6(8)5(2)9-7(10)11-4/h3H,1-2H3
InChIKey
OCFQLWPRRIBZCT-UHFFFAOYSA-N
Compound name
5-bromo-2,6-dimethylimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.95132 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.958596 133.2
[M+Na]+ 252.940538 151.2
[M-H]- 228.944044 140.5
[M+NH4]+ 247.985143 159.0
[M+K]+ 268.914478 140.4
[M+H-H2O]+ 212.948580 134.9
[M+HCOO]- 274.949521 152.2
[M+CH3COO]- 288.965171 151.1
[M+Na-2H]- 250.925986 137.9
[M]+ 229.95077142 157.6
[M]- 229.95186858 157.6
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.