CID 16778444

3-(pyridine-4-amido)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O3S
SMILES
C1=CN=CC=C1C(=O)NC2=C(SC=C2)C(=O)O
InChI
InChI=1S/C11H8N2O3S/c14-10(7-1-4-12-5-2-7)13-8-3-6-17-9(8)11(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKey
MQJQQTDTQYSZMN-UHFFFAOYSA-N
Compound name
3-(pyridine-4-carbonylamino)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

248.02556 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.032836 152.6
[M+Na]+ 271.014778 160.2
[M-H]- 247.018284 157.4
[M+NH4]+ 266.059383 169.5
[M+K]+ 286.988718 156.7
[M+H-H2O]+ 231.022820 145.6
[M+HCOO]- 293.023761 170.9
[M+CH3COO]- 307.039411 188.4
[M+Na-2H]- 269.000226 154.0
[M]+ 248.02501142 153.7
[M]- 248.02610858 153.7
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