CID 15357578

2-bromo-6-methylimidazo[2,1-b][1,3,4]thiadiazole

Structural Information

Molecular Formula
C5H4BrN3S
SMILES
CC1=CN2C(=N1)SC(=N2)Br
InChI
InChI=1S/C5H4BrN3S/c1-3-2-9-5(7-3)10-4(6)8-9/h2H,1H3
InChIKey
FPEOMUHJNJUHPT-UHFFFAOYSA-N
Compound name
2-bromo-6-methylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

216.93092 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.93820 126.7
[M+Na]+ 239.92014 144.8
[M-H]- 215.92364 132.7
[M+NH4]+ 234.96474 151.5
[M+K]+ 255.89408 134.6
[M+H-H2O]+ 199.92818 128.0
[M+HCOO]- 261.92912 145.2
[M+CH3COO]- 275.94477 144.5
[M+Na-2H]- 237.90559 132.9
[M]+ 216.93037 150.6
[M]- 216.93147 150.6
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

patents stripe