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 188.2
[M+Na]+ 388.09777 194.1
[M-H]- 364.10127 198.1
[M+NH4]+ 383.14237 202.2
[M+K]+ 404.07171 189.0
[M+H-H2O]+ 348.10581 179.8
[M+HCOO]- 410.10675 207.4
[M+CH3COO]- 424.12240 214.4
[M+Na-2H]- 386.08322 186.8
[M]+ 365.10800 191.9
[M]- 365.10910 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.