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

13
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 149.9
[M+Na]+ 257.03552 159.1
[M-H]- 233.03902 155.9
[M+NH4]+ 252.08012 168.4
[M+K]+ 273.00946 155.6
[M+H-H2O]+ 217.04356 142.9
[M+HCOO]- 279.04450 169.7
[M+CH3COO]- 293.06015 189.2
[M+Na-2H]- 255.02097 150.9
[M]+ 234.04575 152.1
[M]- 234.04685 152.1
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