CID 505547

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

Structural Information

Molecular Formula
C24H29NO4
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CCCC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C24H29NO4/c1-24(2,3)29-23(28)21(26)17-22(27)25(18-20-13-8-5-9-14-20)16-10-15-19-11-6-4-7-12-19/h4-9,11-14H,10,15-18H2,1-3H3
InChIKey
YDUNOYKOHRHDQE-UHFFFAOYSA-N
Compound name
tert-butyl 4-[benzyl(3-phenylpropyl)amino]-2,4-dioxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.20966 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.21694 198.8
[M+Na]+ 418.19888 200.5
[M-H]- 394.20238 205.2
[M+NH4]+ 413.24348 209.3
[M+K]+ 434.17282 198.5
[M+H-H2O]+ 378.20692 189.4
[M+HCOO]- 440.20786 218.1
[M+CH3COO]- 454.22351 226.6
[M+Na-2H]- 416.18433 198.6
[M]+ 395.20911 202.8
[M]- 395.21021 202.8
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.