CID 7130995

91076-98-1

Structural Information

Molecular Formula
C19H17NO2S
SMILES
CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C19H17NO2S/c1-2-22-19(21)18-16(20)12-17(23-18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,2,20H2,1H3
InChIKey
FQTFOVORLZHBBH-UHFFFAOYSA-N
Compound name
ethyl 3-amino-5-(4-phenylphenyl)thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.098 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10528 175.6
[M+Na]+ 346.08722 189.2
[M+NH4]+ 341.13182 184.4
[M+K]+ 362.06116 181.0
[M-H]- 322.09072 182.4
[M+Na-2H]- 344.07267 184.8
[M]+ 323.09745 180.0
[M]- 323.09855 180.0
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

No patent data available for this compound.