CID 43155531

Methyl 3-amino-5-(pyridin-4-yl)thiophene-2-carboxylate

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
COC(=O)C1=C(C=C(S1)C2=CC=NC=C2)N
InChI
InChI=1S/C11H10N2O2S/c1-15-11(14)10-8(12)6-9(16-10)7-2-4-13-5-3-7/h2-6H,12H2,1H3
InChIKey
MTWPBJBUARILTH-UHFFFAOYSA-N
Compound name
methyl 3-amino-5-pyridin-4-ylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

234.0463 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 150.3
[M+Na]+ 257.03552 161.9
[M+NH4]+ 252.08012 158.4
[M+K]+ 273.00946 156.1
[M-H]- 233.03902 153.6
[M+Na-2H]- 255.02097 156.9
[M]+ 234.04575 153.1
[M]- 234.04685 153.1
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