CID 825579

Ethyl 3-amino-5-(4-methoxyphenyl)-2-thiophenecarboxylate

Structural Information

Molecular Formula
C14H15NO3S
SMILES
CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)N
InChI
InChI=1S/C14H15NO3S/c1-3-18-14(16)13-11(15)8-12(19-13)9-4-6-10(17-2)7-5-9/h4-8H,3,15H2,1-2H3
InChIKey
ZEMJHAZGTAILJN-UHFFFAOYSA-N
Compound name
ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

277.07727 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08455 162.6
[M+Na]+ 300.06649 171.1
[M-H]- 276.06999 169.8
[M+NH4]+ 295.11109 180.9
[M+K]+ 316.04043 167.6
[M+H-H2O]+ 260.07453 155.9
[M+HCOO]- 322.07547 182.8
[M+CH3COO]- 336.09112 198.8
[M+Na-2H]- 298.05194 161.7
[M]+ 277.07672 167.2
[M]- 277.07782 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