CID 5272891

6-hexyl-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
C23H30N2O5
SMILES
CCCCCCC1=C(C2CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O)C4=CC=CC=C4
InChI
InChI=1S/C23H30N2O5/c1-2-3-4-8-11-18-21(15-9-6-5-7-10-15)16-13-25(23(28)24-22(16)30-18)20-12-17(27)19(14-26)29-20/h5-7,9-10,16-17,19-20,26-27H,2-4,8,11-14H2,1H3/t16?,17-,19+,20+/m0/s1
InChIKey
HVSZHHZTOQMCBV-KSRCZVEISA-N
Compound name
6-hexyl-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

414.21548 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.22276 201.6
[M+Na]+ 437.20470 206.8
[M-H]- 413.20820 208.1
[M+NH4]+ 432.24930 209.9
[M+K]+ 453.17864 203.4
[M+H-H2O]+ 397.21274 193.6
[M+HCOO]- 459.21368 213.3
[M+CH3COO]- 473.22933 221.9
[M+Na-2H]- 435.19015 196.9
[M]+ 414.21493 203.3
[M]- 414.21603 203.3
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.