CID 505565

Tert-butyl 4-[isopropyl(phenethyl)amino]-2,4-dioxo-butanoate

Structural Information

Molecular Formula
C19H27NO4
SMILES
CC(C)N(CCC1=CC=CC=C1)C(=O)CC(=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H27NO4/c1-14(2)20(12-11-15-9-7-6-8-10-15)17(22)13-16(21)18(23)24-19(3,4)5/h6-10,14H,11-13H2,1-5H3
InChIKey
XGJSXPVZQJRRDX-UHFFFAOYSA-N
Compound name
tert-butyl 2,4-dioxo-4-[2-phenylethyl(propan-2-yl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.194 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.20128 181.3
[M+Na]+ 356.18322 184.0
[M-H]- 332.18672 185.2
[M+NH4]+ 351.22782 195.0
[M+K]+ 372.15716 184.2
[M+H-H2O]+ 316.19126 174.1
[M+HCOO]- 378.19220 200.1
[M+CH3COO]- 392.20785 216.9
[M+Na-2H]- 354.16867 180.2
[M]+ 333.19345 185.9
[M]- 333.19455 185.9
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.