CID 5274246

3-(2-hydroxyethoxymethyl)-6-phenyl-furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)COCCO
InChI
InChI=1S/C15H14N2O4/c18-6-7-20-10-17-9-12-8-13(11-4-2-1-3-5-11)21-14(12)16-15(17)19/h1-5,8-9,18H,6-7,10H2
InChIKey
HZERSABUVFCKQF-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-phenylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.09537 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 161.5
[M+Na]+ 309.084588 172.3
[M-H]- 285.088094 166.9
[M+NH4]+ 304.129193 175.4
[M+K]+ 325.058528 168.9
[M+H-H2O]+ 269.092630 152.9
[M+HCOO]- 331.093571 183.3
[M+CH3COO]- 345.109221 174.1
[M+Na-2H]- 307.070036 168.3
[M]+ 286.09482142 167.7
[M]- 286.09591858 167.7
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.