CID 501706

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

Structural Information

Molecular Formula
C20H22N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C3C=C(OC3=NC2=O)CCCC4=CC=CC=C4)CO)O
InChI
InChI=1S/C20H22N2O5/c23-12-17-16(24)10-18(27-17)22-11-14-9-15(26-19(14)21-20(22)25)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9,11,16-18,23-24H,4,7-8,10,12H2/t16-,17+,18+/m0/s1
InChIKey
YBLGJOZWWNDWMP-RCCFBDPRSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(3-phenylpropyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.15286 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.16014 184.9
[M+Na]+ 393.14208 193.6
[M-H]- 369.14558 192.8
[M+NH4]+ 388.18668 195.0
[M+K]+ 409.11602 190.4
[M+H-H2O]+ 353.15012 177.0
[M+HCOO]- 415.15106 201.9
[M+CH3COO]- 429.16671 195.3
[M+Na-2H]- 391.12753 185.0
[M]+ 370.15231 189.4
[M]- 370.15341 189.4
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.