CID 505546

Tert-butyl 4-[(2-ethoxyphenyl)(3-phenylpropyl)amino]-2,4-dioxobutanoate

Structural Information

Molecular Formula
C25H31NO5
SMILES
CCOC1=CC=CC=C1N(CCCC2=CC=CC=C2)C(=O)CC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C25H31NO5/c1-5-30-22-16-10-9-15-20(22)26(17-11-14-19-12-7-6-8-13-19)23(28)18-21(27)24(29)31-25(2,3)4/h6-10,12-13,15-16H,5,11,14,17-18H2,1-4H3
InChIKey
ZRKIBMZUEIFAFD-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-ethoxy-N-(3-phenylpropyl)anilino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.2202 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.22748 205.5
[M+Na]+ 448.20942 207.4
[M-H]- 424.21292 212.0
[M+NH4]+ 443.25402 214.9
[M+K]+ 464.18336 206.1
[M+H-H2O]+ 408.21746 195.9
[M+HCOO]- 470.21840 224.6
[M+CH3COO]- 484.23405 232.8
[M+Na-2H]- 446.19487 204.4
[M]+ 425.21965 211.7
[M]- 425.22075 211.7
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.