CID 5114477

Et 5-(anilinocarbonyl)-4-me-2-(((2-methylphenoxy)ac)amino)3-thiophenecarboxylate

Structural Information

Molecular Formula
C24H24N2O5S
SMILES
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3C
InChI
InChI=1S/C24H24N2O5S/c1-4-30-24(29)20-16(3)21(22(28)25-17-11-6-5-7-12-17)32-23(20)26-19(27)14-31-18-13-9-8-10-15(18)2/h5-13H,4,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKey
AASXTOUNDFHNFJ-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-5-(phenylcarbamoyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.1406 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.14788 209.8
[M+Na]+ 475.12982 214.0
[M-H]- 451.13332 219.5
[M+NH4]+ 470.17442 219.7
[M+K]+ 491.10376 210.2
[M+H-H2O]+ 435.13786 200.5
[M+HCOO]- 497.13880 228.1
[M+CH3COO]- 511.15445 234.7
[M+Na-2H]- 473.11527 206.0
[M]+ 452.14005 215.8
[M]- 452.14115 215.8
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.