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 129.7
[M+Na]+ 250.92490 145.4
[M-H]- 226.92840 136.8
[M+NH4]+ 245.96950 153.9
[M+K]+ 266.89884 133.2
[M+H-H2O]+ 210.93294 130.5
[M+HCOO]- 272.93388 149.1
[M+CH3COO]- 286.94953 146.7
[M+Na-2H]- 248.91035 137.3
[M]+ 227.93513 150.7
[M]- 227.93623 150.7
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

patents stripe