CID 5273526

9-(1-.beta.-d-arabinofuranosyl)-diketopiperazine

Structural Information

Molecular Formula

C₉H₁₄N₂O₆

SMILES

C1C(=O)N(CC(=O)N1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O

InChI

InChI=1S/C9H14N2O6/c12-3-4-7(15)8(16)9(17-4)11-2-5(13)10-1-6(11)14/h4,7-9,12,15-16H,1-3H2,(H,10,13)/t4-,7-,8+,9-/m1/s1

InChIKey

IIJFJAQUFQNBSB-LPJZALPJSA-N

Compound name

1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]piperazine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 246.08519 Da
Monoisotopic Mass: -2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.092466	153.4
[M+Na]+	269.074408	159.7
[M-H]-	245.077914	152.8
[M+NH4]+	264.119013	165.7
[M+K]+	285.048348	157.5
[M+H-H2O]+	229.082450	147.1
[M+HCOO]-	291.083391	164.7
[M+CH3COO]-	305.099041	182.6
[M+Na-2H]-	267.059856	152.3
[M]+	246.08464142	147.9
[M]-	246.08573858	147.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.