CID 501704

3-[(4s,2r,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-benzyl-3-hydrofurano[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C18H18N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CC4=CC=CC=C4)CO)O
InChI
InChI=1S/C18H18N2O5/c21-10-15-14(22)8-16(25-15)20-9-12-7-13(24-17(12)19-18(20)23)6-11-4-2-1-3-5-11/h1-5,7,9,14-16,21-22H,6,8,10H2/t14-,15+,16+/m0/s1
InChIKey
GOTVJFQIYVUJAV-ARFHVFGLSA-N
Compound name
6-benzyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.12158 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12886 175.8
[M+Na]+ 365.11080 185.5
[M-H]- 341.11430 184.1
[M+NH4]+ 360.15540 187.2
[M+K]+ 381.08474 182.7
[M+H-H2O]+ 325.11884 168.4
[M+HCOO]- 387.11978 193.6
[M+CH3COO]- 401.13543 187.2
[M+Na-2H]- 363.09625 177.0
[M]+ 342.12103 179.8
[M]- 342.12213 179.8
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.