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

33
Patents

228.93092 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.93820 127.6
[M+Na]+ 251.92014 143.8
[M-H]- 227.92364 133.6
[M+NH4]+ 246.96474 150.6
[M+K]+ 267.89408 131.7
[M+H-H2O]+ 211.92818 128.1
[M+HCOO]- 273.92912 146.2
[M+CH3COO]- 287.94477 144.5
[M+Na-2H]- 249.90559 135.8
[M]+ 228.93037 148.8
[M]- 228.93147 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