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]+ 230.95860 133.2
[M+Na]+ 252.94054 151.2
[M-H]- 228.94404 140.5
[M+NH4]+ 247.98514 159.0
[M+K]+ 268.91448 140.4
[M+H-H2O]+ 212.94858 134.9
[M+HCOO]- 274.94952 152.2
[M+CH3COO]- 288.96517 151.1
[M+Na-2H]- 250.92599 137.9
[M]+ 229.95077 157.6
[M]- 229.95187 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.