CID 505596

Tert-butyl 4-[benzyl(isopentyl)amino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C20H29NO4
SMILES
CC(C)CCN(CC1=CC=CC=C1)C(=O)CC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C20H29NO4/c1-15(2)11-12-21(14-16-9-7-6-8-10-16)18(23)13-17(22)19(24)25-20(3,4)5/h6-10,15H,11-14H2,1-5H3
InChIKey
BJVXSVCERCKENB-UHFFFAOYSA-N
Compound name
tert-butyl 4-[benzyl(3-methylbutyl)amino]-2,4-dioxobutanoate
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 186.0
[M+Na]+ 370.19888 188.3
[M-H]- 346.20238 189.7
[M+NH4]+ 365.24348 199.2
[M+K]+ 386.17282 188.2
[M+H-H2O]+ 330.20692 178.6
[M+HCOO]- 392.20786 204.5
[M+CH3COO]- 406.22351 219.9
[M+Na-2H]- 368.18433 184.4
[M]+ 347.20911 191.0
[M]- 347.21021 191.0
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.