CID 505548

Tert-butyl 2,4-dioxo-4-[3-phenylpropyl(propyl)amino]butanoate

Structural Information

Molecular Formula
C20H29NO4
SMILES
CCCN(CCCC1=CC=CC=C1)C(=O)CC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H29NO4/c1-5-13-21(14-9-12-16-10-7-6-8-11-16)18(23)15-17(22)19(24)25-20(2,3)4/h6-8,10-11H,5,9,12-15H2,1-4H3
InChIKey
QCBAFSWBKPNNQX-UHFFFAOYSA-N
Compound name
tert-butyl 2,4-dioxo-4-[3-phenylpropyl(propyl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.20966 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.21694 186.9
[M+Na]+ 370.19888 189.4
[M-H]- 346.20238 190.5
[M+NH4]+ 365.24348 200.1
[M+K]+ 386.17282 188.7
[M+H-H2O]+ 330.20692 179.2
[M+HCOO]- 392.20786 206.3
[M+CH3COO]- 406.22351 219.0
[M+Na-2H]- 368.18433 186.3
[M]+ 347.20911 192.4
[M]- 347.21021 192.4
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.