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]+ 334.201276 181.3
[M+Na]+ 356.183218 184.0
[M-H]- 332.186724 185.2
[M+NH4]+ 351.227823 195.0
[M+K]+ 372.157158 184.2
[M+H-H2O]+ 316.191260 174.1
[M+HCOO]- 378.192201 200.1
[M+CH3COO]- 392.207851 216.9
[M+Na-2H]- 354.168666 180.2
[M]+ 333.19345142 185.9
[M]- 333.19454858 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.