CID 501705

Chembl244196

Structural Information

Molecular Formula
C19H20N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CCC4=CC=CC=C4)CO)O
InChI
InChI=1S/C19H20N2O5/c22-11-16-15(23)9-17(26-16)21-10-13-8-14(25-18(13)20-19(21)24)7-6-12-4-2-1-3-5-12/h1-5,8,10,15-17,22-23H,6-7,9,11H2/t15-,16+,17+/m0/s1
InChIKey
CPDIRLDGFMUPGP-GVDBMIGSSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2-phenylethyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

356.1372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14448 180.3
[M+Na]+ 379.12642 189.6
[M-H]- 355.12992 188.5
[M+NH4]+ 374.17102 191.1
[M+K]+ 395.10036 186.5
[M+H-H2O]+ 339.13446 172.7
[M+HCOO]- 401.13540 197.7
[M+CH3COO]- 415.15105 191.3
[M+Na-2H]- 377.11187 181.0
[M]+ 356.13665 184.6
[M]- 356.13775 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.