CID 5224549

Ethyl 4-methyl-2-{[(2-methylphenoxy)acetyl]amino}-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate

Structural Information

Molecular Formula
C25H26N2O5S
SMILES
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=O)COC3=CC=CC=C3C
InChI
InChI=1S/C25H26N2O5S/c1-5-31-25(30)21-17(4)22(23(29)26-18-12-8-6-10-15(18)2)33-24(21)27-20(28)14-32-19-13-9-7-11-16(19)3/h6-13H,5,14H2,1-4H3,(H,26,29)(H,27,28)
InChIKey
YZKXIKQMVRTSJP-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.15625 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.16353 214.0
[M+Na]+ 489.14547 218.6
[M-H]- 465.14897 224.0
[M+NH4]+ 484.19007 223.7
[M+K]+ 505.11941 214.7
[M+H-H2O]+ 449.15351 204.8
[M+HCOO]- 511.15445 232.0
[M+CH3COO]- 525.17010 238.9
[M+Na-2H]- 487.13092 209.2
[M]+ 466.15570 220.8
[M]- 466.15680 220.8
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.