CID 493480

Cf1837

Structural Information

Molecular Formula
C17H16N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)C4=CC=CC=C4)CO)O
InChI
InChI=1S/C17H16N2O5/c20-9-14-12(21)7-15(23-14)19-8-11-6-13(10-4-2-1-3-5-10)24-16(11)18-17(19)22/h1-6,8,12,14-15,20-21H,7,9H2/t12-,14+,15+/m0/s1
InChIKey
JFLIBUPKLFWCEC-NWANDNLSSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-phenylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

328.10593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11321 171.2
[M+Na]+ 351.09515 181.4
[M-H]- 327.09865 179.7
[M+NH4]+ 346.13975 183.2
[M+K]+ 367.06909 178.8
[M+H-H2O]+ 311.10319 164.0
[M+HCOO]- 373.10413 189.3
[M+CH3COO]- 387.11978 183.1
[M+Na-2H]- 349.08060 173.0
[M]+ 328.10538 174.9
[M]- 328.10648 174.9
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.