CID 18450797

3-bromothieno[3,2-c]pyridin-4-amine

Structural Information

Molecular Formula
C7H5BrN2S
SMILES
C1=CN=C(C2=C1SC=C2Br)N
InChI
InChI=1S/C7H5BrN2S/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3H,(H2,9,10)
InChIKey
NRVPVUKWJYSNTO-UHFFFAOYSA-N
Compound name
3-bromothieno[3,2-c]pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

227.93568 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.94296 129.9
[M+Na]+ 250.92490 134.0
[M+NH4]+ 245.96950 136.4
[M+K]+ 266.89884 133.7
[M-H]- 226.92840 131.6
[M+Na-2H]- 248.91035 134.2
[M]+ 227.93513 130.2
[M]- 227.93623 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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