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]+ 366.115826 188.2
[M+Na]+ 388.097768 194.1
[M-H]- 364.101274 198.1
[M+NH4]+ 383.142373 202.2
[M+K]+ 404.071708 189.0
[M+H-H2O]+ 348.105810 179.8
[M+HCOO]- 410.106751 207.4
[M+CH3COO]- 424.122401 214.4
[M+Na-2H]- 386.083216 186.8
[M]+ 365.10800142 191.9
[M]- 365.10909858 191.9
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.