CID 5272675

Furo[2,3-d]pyrimidin-2(3h)-one, 6-decyl-3-(2-deoxy-b-d-erythro-pentofuranosyl)-5-phenyl-

Structural Information

Molecular Formula
C27H36N2O5
SMILES
CCCCCCCCCCC1=C(C2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O)C4=CC=CC=C4
InChI
InChI=1S/C27H36N2O5/c1-2-3-4-5-6-7-8-12-15-22-25(19-13-10-9-11-14-19)20-17-29(27(32)28-26(20)34-22)24-16-21(31)23(18-30)33-24/h9-11,13-14,17,21,23-24,30-31H,2-8,12,15-16,18H2,1H3/t21-,23+,24+/m0/s1
InChIKey
VGLAVBWKHYFWGL-QPTUXGOLSA-N
Compound name
6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

468.26242 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.26970 217.1
[M+Na]+ 491.25164 223.3
[M-H]- 467.25514 224.0
[M+NH4]+ 486.29624 223.4
[M+K]+ 507.22558 218.8
[M+H-H2O]+ 451.25968 208.1
[M+HCOO]- 513.26062 231.5
[M+CH3COO]- 527.27627 232.3
[M+Na-2H]- 489.23709 212.9
[M]+ 468.26187 224.1
[M]- 468.26297 224.1
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.