CID 5272888

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

Structural Information

Molecular Formula
C26H36N2O5
SMILES
CCCCCCCCCC1=C(C2CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O)C4=CC=CC=C4
InChI
InChI=1S/C26H36N2O5/c1-2-3-4-5-6-7-11-14-21-24(18-12-9-8-10-13-18)19-16-28(26(31)27-25(19)33-21)23-15-20(30)22(17-29)32-23/h8-10,12-13,19-20,22-23,29-30H,2-7,11,14-17H2,1H3/t19?,20-,22+,23+/m0/s1
InChIKey
YIEQHISPGUOHQR-CAHSUYGBSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-nonyl-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

456.26242 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.26970 214.7
[M+Na]+ 479.25164 218.5
[M-H]- 455.25514 220.5
[M+NH4]+ 474.29624 221.2
[M+K]+ 495.22558 214.5
[M+H-H2O]+ 439.25968 206.1
[M+HCOO]- 501.26062 225.3
[M+CH3COO]- 515.27627 230.5
[M+Na-2H]- 477.23709 208.4
[M]+ 456.26187 217.3
[M]- 456.26297 217.3
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.