CID 22850124

Schembl8113253

Structural Information

Molecular Formula
C15H18N4O5
SMILES
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N
InChI
InChI=1S/C15H18N4O5/c1-2-18-7-8-19(14(23)13(18)22)15(24)17-11(12(16)21)9-3-5-10(20)6-4-9/h3-6,11,20H,2,7-8H2,1H3,(H2,16,21)(H,17,24)/t11-/m1/s1
InChIKey
DLZFKUYYRUPCOT-LLVKDONJSA-N
Compound name
N-[(1R)-2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-4-ethyl-2,3-dioxopiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

334.12772 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.134996 175.9
[M+Na]+ 357.116938 180.3
[M-H]- 333.120444 177.9
[M+NH4]+ 352.161543 184.8
[M+K]+ 373.090878 177.8
[M+H-H2O]+ 317.124980 166.9
[M+HCOO]- 379.125921 191.6
[M+CH3COO]- 393.141571 213.1
[M+Na-2H]- 355.102386 174.1
[M]+ 334.12717142 171.8
[M]- 334.12826858 171.8
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