CID 727641

Ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C14H15NO3S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)N
InChI
InChI=1S/C14H15NO3S/c1-3-18-14(16)12-11(8-19-13(12)15)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3
InChIKey
ZUOUKGJUHCKVDK-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(4-methoxyphenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

46
Patents

277.07727 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.084546 162.6
[M+Na]+ 300.066488 171.1
[M-H]- 276.069994 169.8
[M+NH4]+ 295.111093 180.9
[M+K]+ 316.040428 167.6
[M+H-H2O]+ 260.074530 155.9
[M+HCOO]- 322.075471 182.8
[M+CH3COO]- 336.091121 198.8
[M+Na-2H]- 298.051936 161.7
[M]+ 277.07672142 167.2
[M]- 277.07781858 167.2
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