CID 24127610

3-amino-6-propylthieno[2,3-b]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
CCCC1=NC2=C(C=C1)C(=C(S2)C(=O)O)N
InChI
InChI=1S/C11H12N2O2S/c1-2-3-6-4-5-7-8(12)9(11(14)15)16-10(7)13-6/h4-5H,2-3,12H2,1H3,(H,14,15)
InChIKey
FFIHXHXWWLJOMI-UHFFFAOYSA-N
Compound name
3-amino-6-propylthieno[2,3-b]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

236.06195 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.069226 149.7
[M+Na]+ 259.051168 160.2
[M-H]- 235.054674 152.3
[M+NH4]+ 254.095773 169.0
[M+K]+ 275.025108 155.7
[M+H-H2O]+ 219.059210 144.0
[M+HCOO]- 281.060151 167.6
[M+CH3COO]- 295.075801 190.2
[M+Na-2H]- 257.036616 151.4
[M]+ 236.06140142 153.4
[M]- 236.06249858 153.4
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