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

168
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 171.3
[M+Na]+ 342.10604 175.7
[M-H]- 318.10954 173.5
[M+NH4]+ 337.15064 181.2
[M+K]+ 358.07998 173.4
[M+H-H2O]+ 302.11408 162.4
[M+HCOO]- 364.11502 186.7
[M+CH3COO]- 378.13067 206.7
[M+Na-2H]- 340.09149 170.8
[M]+ 319.11627 168.5
[M]- 319.11737 168.5
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