CID 44612774

6-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine

Structural Information

Molecular Formula
C6H4BrN3S
SMILES
C1=C(C=NC2=C1N=C(S2)N)Br
InChI
InChI=1S/C6H4BrN3S/c7-3-1-4-5(9-2-3)11-6(8)10-4/h1-2H,(H2,8,10)
InChIKey
WZQLBSAXHYDIEQ-UHFFFAOYSA-N
Compound name
6-bromo-[1,3]thiazolo[5,4-b]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

228.93092 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.938196 127.6
[M+Na]+ 251.920138 143.8
[M-H]- 227.923644 133.6
[M+NH4]+ 246.964743 150.6
[M+K]+ 267.894078 131.7
[M+H-H2O]+ 211.928180 128.1
[M+HCOO]- 273.929121 146.2
[M+CH3COO]- 287.944771 144.5
[M+Na-2H]- 249.905586 135.8
[M]+ 228.93037142 148.8
[M]- 228.93146858 148.8
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