CID 2851994

Ethyl 2-{[(4-chlorophenoxy)acetyl]amino}-4-phenyl-3-thiophenecarboxylate

Structural Information

Molecular Formula
C21H18ClNO4S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H18ClNO4S/c1-2-26-21(25)19-17(14-6-4-3-5-7-14)13-28-20(19)23-18(24)12-27-16-10-8-15(22)9-11-16/h3-11,13H,2,12H2,1H3,(H,23,24)
InChIKey
ILUKBKNLYHVCCM-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.0645 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.07178 196.3
[M+Na]+ 438.05372 209.2
[M+NH4]+ 433.09832 203.6
[M+K]+ 454.02766 201.2
[M-H]- 414.05722 201.7
[M+Na-2H]- 436.03917 204.3
[M]+ 415.06395 200.4
[M]- 415.06505 200.4
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.