CID 59053204

1250997-71-7

Structural Information

Molecular Formula
C7H6BrN3O2S
SMILES
CCOC(=O)C1=CN2C(=N1)SC(=N2)Br
InChI
InChI=1S/C7H6BrN3O2S/c1-2-13-5(12)4-3-11-7(9-4)14-6(8)10-11/h3H,2H2,1H3
InChIKey
CULJNUPGWIINQJ-UHFFFAOYSA-N
Compound name
ethyl 2-bromoimidazo[2,1-b][1,3,4]thiadiazole-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

274.9364 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.94368 141.3
[M+Na]+ 297.92562 157.9
[M-H]- 273.92912 147.0
[M+NH4]+ 292.97022 163.6
[M+K]+ 313.89956 148.0
[M+H-H2O]+ 257.93366 142.1
[M+HCOO]- 319.93460 158.7
[M+CH3COO]- 333.95025 190.5
[M+Na-2H]- 295.91107 145.8
[M]+ 274.93585 167.0
[M]- 274.93695 167.0
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

patents stripe