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 190.4
[M+Na]+ 408.04318 198.4
[M-H]- 384.04668 200.9
[M+NH4]+ 403.08778 204.9
[M+K]+ 424.01712 192.1
[M+H-H2O]+ 368.05122 183.2
[M+HCOO]- 430.05216 205.4
[M+CH3COO]- 444.06781 216.2
[M+Na-2H]- 406.02863 188.5
[M]+ 385.05341 196.6
[M]- 385.05451 196.6
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.