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]+ 237.06923 149.7
[M+Na]+ 259.05117 160.2
[M-H]- 235.05467 152.3
[M+NH4]+ 254.09577 169.0
[M+K]+ 275.02511 155.7
[M+H-H2O]+ 219.05921 144.0
[M+HCOO]- 281.06015 167.6
[M+CH3COO]- 295.07580 190.2
[M+Na-2H]- 257.03662 151.4
[M]+ 236.06140 153.4
[M]- 236.06250 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