CID 2733658

63422-71-9

Structural Information

Molecular Formula
C15H17N3O5
SMILES
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H17N3O5/c1-2-17-8-9-18(13(20)12(17)19)15(23)16-11(14(21)22)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,16,23)(H,21,22)/t11-/m1/s1
InChIKey
JQEHQELQPPKXRR-LLVKDONJSA-N
Compound name
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

319.11682 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12410 171.8
[M+Na]+ 342.10604 180.2
[M+NH4]+ 337.15064 175.1
[M+K]+ 358.07998 177.7
[M-H]- 318.10954 171.3
[M+Na-2H]- 340.09149 174.4
[M]+ 319.11627 172.1
[M]- 319.11737 172.1
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

patents stripe