CID 1703921

77261-20-2

Structural Information

Molecular Formula
C20H16ClNO3S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H16ClNO3S/c1-2-25-20(24)17-16(13-6-4-3-5-7-13)12-26-19(17)22-18(23)14-8-10-15(21)11-9-14/h3-12H,2H2,1H3,(H,22,23)
InChIKey
ASYDCPFNCWEWNH-UHFFFAOYSA-N
Compound name
ethyl 2-[(4-chlorobenzoyl)amino]-4-phenylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.05396 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.06124 189.1
[M+Na]+ 408.04318 202.7
[M+NH4]+ 403.08778 197.1
[M+K]+ 424.01712 194.4
[M-H]- 384.04668 195.1
[M+Na-2H]- 406.02863 197.7
[M]+ 385.05341 193.5
[M]- 385.05451 193.5
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.