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

6
Patents

248.02556 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03284 152.6
[M+Na]+ 271.01478 160.2
[M-H]- 247.01828 157.4
[M+NH4]+ 266.05938 169.5
[M+K]+ 286.98872 156.7
[M+H-H2O]+ 231.02282 145.6
[M+HCOO]- 293.02376 170.9
[M+CH3COO]- 307.03941 188.4
[M+Na-2H]- 269.00023 154.0
[M]+ 248.02501 153.7
[M]- 248.02611 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