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]+ 287.10265 161.5
[M+Na]+ 309.08459 172.3
[M-H]- 285.08809 166.9
[M+NH4]+ 304.12919 175.4
[M+K]+ 325.05853 168.9
[M+H-H2O]+ 269.09263 152.9
[M+HCOO]- 331.09357 183.3
[M+CH3COO]- 345.10922 174.1
[M+Na-2H]- 307.07004 168.3
[M]+ 286.09482 167.7
[M]- 286.09592 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.