CID 506148

3-[(5s)-5-(hydroxymethyl)oxolan-2-yl]-6-phenyl-3-hydrofurano[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C17H16N2O4
SMILES
C1CC(O[C@@H]1CO)N2C=C3C=C(OC3=NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C17H16N2O4/c20-10-13-6-7-15(22-13)19-9-12-8-14(11-4-2-1-3-5-11)23-16(12)18-17(19)21/h1-5,8-9,13,15,20H,6-7,10H2/t13-,15?/m0/s1
InChIKey
HNUKGGFTHZQSOC-CFMCSPIPSA-N
Compound name
3-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-6-phenylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.111 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 167.9
[M+Na]+ 335.10022 178.0
[M-H]- 311.10372 177.3
[M+NH4]+ 330.14482 181.1
[M+K]+ 351.07416 175.4
[M+H-H2O]+ 295.10826 160.3
[M+HCOO]- 357.10920 187.4
[M+CH3COO]- 371.12485 180.3
[M+Na-2H]- 333.08567 170.5
[M]+ 312.11045 171.5
[M]- 312.11155 171.5
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.