CID 693902

Ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate

Structural Information

Molecular Formula
C14H15NO2S
SMILES
CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)N
InChI
InChI=1S/C14H15NO2S/c1-3-17-14(16)12-11(9(2)18-13(12)15)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3
InChIKey
SXONDAWSQJWZEO-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-methyl-4-phenylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

51
Patents

261.08234 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 159.3
[M+Na]+ 284.07156 168.0
[M-H]- 260.07506 166.5
[M+NH4]+ 279.11616 178.4
[M+K]+ 300.04550 164.0
[M+H-H2O]+ 244.07960 152.9
[M+HCOO]- 306.08054 179.3
[M+CH3COO]- 320.09619 196.7
[M+Na-2H]- 282.05701 158.2
[M]+ 261.08179 162.5
[M]- 261.08289 162.5
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