CID 1245637

Et 2-(((4-f-phenoxy)ac)amino)4-me-5-(2-toluidinocarbonyl)-3-thiophenecarboxylate

Structural Information

Molecular Formula
C24H23FN2O5S
SMILES
CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)NC(=O)COC3=CC=C(C=C3)F
InChI
InChI=1S/C24H23FN2O5S/c1-4-31-24(30)20-15(3)21(22(29)26-18-8-6-5-7-14(18)2)33-23(20)27-19(28)13-32-17-11-9-16(25)10-12-17/h5-12H,4,13H2,1-3H3,(H,26,29)(H,27,28)
InChIKey
SMNZXFOEFRKACV-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.13116 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.13844 212.2
[M+Na]+ 493.12038 217.3
[M-H]- 469.12388 220.9
[M+NH4]+ 488.16498 221.6
[M+K]+ 509.09432 213.0
[M+H-H2O]+ 453.12842 202.2
[M+HCOO]- 515.12936 229.5
[M+CH3COO]- 529.14501 238.6
[M+Na-2H]- 491.10583 207.3
[M]+ 470.13061 217.7
[M]- 470.13171 217.7
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.