CID 1180186

Brn 5611655

Structural Information

Molecular Formula
C21H19NO3S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C21H19NO3S/c1-2-25-21(24)19-17(16-11-7-4-8-12-16)14-26-20(19)22-18(23)13-15-9-5-3-6-10-15/h3-12,14H,2,13H2,1H3,(H,22,23)
InChIKey
STKZEMYHFUFBHK-UHFFFAOYSA-N
Compound name
ethyl 4-phenyl-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.10855 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11583 186.5
[M+Na]+ 388.09777 198.8
[M+NH4]+ 383.14237 194.2
[M+K]+ 404.07171 191.0
[M-H]- 364.10127 192.4
[M+Na-2H]- 386.08322 195.1
[M]+ 365.10800 190.3
[M]- 365.10910 190.3
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.