CID 148245932

N-[(1r)-2-amino-2-oxo-1-phenylethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide

Structural Information

Molecular Formula
C15H18N4O4
SMILES
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C15H18N4O4/c1-2-18-8-9-19(14(22)13(18)21)15(23)17-11(12(16)20)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H2,16,20)(H,17,23)/t11-/m1/s1
InChIKey
MWJIZCIYRUZIFY-LLVKDONJSA-N
Compound name
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1328 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.140076 173.0
[M+Na]+ 341.122018 177.2
[M-H]- 317.125524 176.1
[M+NH4]+ 336.166623 183.2
[M+K]+ 357.095958 174.7
[M+H-H2O]+ 301.130060 163.6
[M+HCOO]- 363.131001 190.1
[M+CH3COO]- 377.146651 211.5
[M+Na-2H]- 339.107466 172.3
[M]+ 318.13225142 168.9
[M]- 318.13334858 168.9
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.