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]+ 329.113206 171.2
[M+Na]+ 351.095148 181.4
[M-H]- 327.098654 179.7
[M+NH4]+ 346.139753 183.2
[M+K]+ 367.069088 178.8
[M+H-H2O]+ 311.103190 164.0
[M+HCOO]- 373.104131 189.3
[M+CH3COO]- 387.119781 183.1
[M+Na-2H]- 349.080596 173.0
[M]+ 328.10538142 174.9
[M]- 328.10647858 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.