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
2
Annotation Hits

0
References

253
Patents

319.11682 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.124096 171.3
[M+Na]+ 342.106038 175.7
[M-H]- 318.109544 173.5
[M+NH4]+ 337.150643 181.2
[M+K]+ 358.079978 173.4
[M+H-H2O]+ 302.114080 162.4
[M+HCOO]- 364.115021 186.7
[M+CH3COO]- 378.130671 206.7
[M+Na-2H]- 340.091486 170.8
[M]+ 319.11627142 168.5
[M]- 319.11736858 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