CID 5272890

6-heptyl-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-phenyl-4,4a-dihydrofuro[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C24H32N2O5
SMILES
CCCCCCCC1=C(C2CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O)C4=CC=CC=C4
InChI
InChI=1S/C24H32N2O5/c1-2-3-4-5-9-12-19-22(16-10-7-6-8-11-16)17-14-26(24(29)25-23(17)31-19)21-13-18(28)20(15-27)30-21/h6-8,10-11,17-18,20-21,27-28H,2-5,9,12-15H2,1H3/t17?,18-,20+,21+/m0/s1
InChIKey
QGWLEOYAGHDBEN-LSMWDBJESA-N
Compound name
6-heptyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenyl-4,4a-dihydrofuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.2311 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.23838 206.0
[M+Na]+ 451.22032 210.7
[M-H]- 427.22382 212.2
[M+NH4]+ 446.26492 213.7
[M+K]+ 467.19426 207.2
[M+H-H2O]+ 411.22836 197.8
[M+HCOO]- 473.22930 217.3
[M+CH3COO]- 487.24495 224.8
[M+Na-2H]- 449.20577 200.8
[M]+ 428.23055 208.0
[M]- 428.23165 208.0
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.