CID 72207251

Ethyl 3-amino-5-bromothieno[2,3-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C10H9BrN2O2S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=CC(=C2)Br)N
InChI
InChI=1S/C10H9BrN2O2S/c1-2-15-10(14)8-7(12)6-3-5(11)4-13-9(6)16-8/h3-4H,2,12H2,1H3
InChIKey
OFFUKMQZOCHIJU-UHFFFAOYSA-N
Compound name
ethyl 3-amino-5-bromothieno[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

299.95682 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.96410 149.2
[M+Na]+ 322.94604 163.7
[M-H]- 298.94954 156.0
[M+NH4]+ 317.99064 170.5
[M+K]+ 338.91998 151.6
[M+H-H2O]+ 282.95408 149.2
[M+HCOO]- 344.95502 166.9
[M+CH3COO]- 358.97067 198.3
[M+Na-2H]- 320.93149 153.7
[M]+ 299.95627 172.6
[M]- 299.95737 172.6
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