CID 493482

3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(4-propylphenyl)furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C20H22N2O5
SMILES
CCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C20H22N2O5/c1-2-3-12-4-6-13(7-5-12)16-8-14-10-22(20(25)21-19(14)27-16)18-9-15(24)17(11-23)26-18/h4-8,10,15,17-18,23-24H,2-3,9,11H2,1H3/t15-,17+,18+/m0/s1
InChIKey
UUIHVPRXEAWBPR-CGTJXYLNSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(4-propylphenyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

370.15286 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16014 185.8
[M+Na]+ 393.14208 195.4
[M-H]- 369.14558 194.2
[M+NH4]+ 388.18668 196.3
[M+K]+ 409.11602 192.2
[M+H-H2O]+ 353.15012 178.3
[M+HCOO]- 415.15106 202.8
[M+CH3COO]- 429.16671 196.6
[M+Na-2H]- 391.12753 185.3
[M]+ 370.15231 190.8
[M]- 370.15341 190.8
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.