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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09247 153.4
[M+Na]+ 269.07441 159.7
[M-H]- 245.07791 152.8
[M+NH4]+ 264.11901 165.7
[M+K]+ 285.04835 157.5
[M+H-H2O]+ 229.08245 147.1
[M+HCOO]- 291.08339 164.7
[M+CH3COO]- 305.09904 182.6
[M+Na-2H]- 267.05986 152.3
[M]+ 246.08464 147.9
[M]- 246.08574 147.9
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

No patent data available for this compound.