CID 2733657

62893-24-7

Structural Information

Molecular Formula
C15H17N3O6
SMILES
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C15H17N3O6/c1-2-17-7-8-18(13(21)12(17)20)15(24)16-11(14(22)23)9-3-5-10(19)6-4-9/h3-6,11,19H,2,7-8H2,1H3,(H,16,24)(H,22,23)/t11-/m1/s1
InChIKey
IPARGUVYMOMVNU-LLVKDONJSA-N
Compound name
(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

335.11172 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11900 174.8
[M+Na]+ 358.10094 182.5
[M+NH4]+ 353.14554 177.1
[M+K]+ 374.07488 181.1
[M-H]- 334.10444 173.3
[M+Na-2H]- 356.08639 176.1
[M]+ 335.11117 174.6
[M]- 335.11227 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe