CID 1083542

301305-68-0

Structural Information

Molecular Formula
C20H21NO5S
SMILES
CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C20H21NO5S/c1-5-26-20(24)17-12(2)18(13(3)22)27-19(17)21-16(23)11-8-14-6-9-15(25-4)10-7-14/h6-11H,5H2,1-4H3,(H,21,23)/b11-8+
InChIKey
MXLLVRWTVCHGGP-DHZHZOJOSA-N
Compound name
ethyl 5-acetyl-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.11404 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12132 192.7
[M+Na]+ 410.10326 198.9
[M-H]- 386.10676 199.8
[M+NH4]+ 405.14786 206.3
[M+K]+ 426.07720 195.3
[M+H-H2O]+ 370.11130 185.3
[M+HCOO]- 432.11224 210.3
[M+CH3COO]- 446.12789 220.9
[M+Na-2H]- 408.08871 187.6
[M]+ 387.11349 200.1
[M]- 387.11459 200.1
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.