CID 638860

Ethyl 2-amino-5-phenylthiophene-3-carboxylate

Structural Information

Molecular Formula
C13H13NO2S
SMILES
CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N
InChI
InChI=1S/C13H13NO2S/c1-2-16-13(15)10-8-11(17-12(10)14)9-6-4-3-5-7-9/h3-8H,2,14H2,1H3
InChIKey
WIVNPGXPJBBZQH-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-phenylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

205
Patents

247.0667 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07398 155.2
[M+Na]+ 270.05592 166.6
[M+NH4]+ 265.10052 163.8
[M+K]+ 286.02986 160.1
[M-H]- 246.05942 159.2
[M+Na-2H]- 268.04137 161.8
[M]+ 247.06615 158.3
[M]- 247.06725 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe