CID 481723

Ethyl 4-[[2-acetyl-4-(1-naphthylamino)-4-oxo-butanoyl]amino]benzoate

Structural Information

Molecular Formula
C25H24N2O5
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC(=O)NC2=CC=CC3=CC=CC=C32)C(=O)C
InChI
InChI=1S/C25H24N2O5/c1-3-32-25(31)18-11-13-19(14-12-18)26-24(30)21(16(2)28)15-23(29)27-22-10-6-8-17-7-4-5-9-20(17)22/h4-14,21H,3,15H2,1-2H3,(H,26,30)(H,27,29)
InChIKey
YLTKZUCATJPTCQ-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-acetyl-4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.16852 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.17580 203.4
[M+Na]+ 455.15774 205.4
[M-H]- 431.16124 209.7
[M+NH4]+ 450.20234 212.0
[M+K]+ 471.13168 202.8
[M+H-H2O]+ 415.16578 193.5
[M+HCOO]- 477.16672 222.3
[M+CH3COO]- 491.18237 234.9
[M+Na-2H]- 453.14319 202.9
[M]+ 432.16797 205.2
[M]- 432.16907 205.2
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.