CID 5274245

3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)COCCO
InChI
InChI=1S/C20H24N2O4/c1-2-3-4-5-15-6-8-16(9-7-15)18-12-17-13-22(14-25-11-10-23)20(24)21-19(17)26-18/h6-9,12-13,23H,2-5,10-11,14H2,1H3
InChIKey
BHBQQFNTZBPTNP-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.1736 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 185.2
[M+Na]+ 379.16282 194.5
[M-H]- 355.16632 190.0
[M+NH4]+ 374.20742 196.5
[M+K]+ 395.13676 190.1
[M+H-H2O]+ 339.17086 175.8
[M+HCOO]- 401.17180 205.2
[M+CH3COO]- 415.18745 212.3
[M+Na-2H]- 377.14827 188.5
[M]+ 356.17305 193.5
[M]- 356.17415 193.5
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.