CID 497649

1-[(2r,4s,5s)-4-hydroxy-5-trityloxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C28H26N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C28H26N2O5/c1-19-18-30(27(33)29-25(19)32)24-17-23(31)26(34-24)35-28(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,18,23-24,26,31H,17H2,1H3,(H,29,32,33)/t23-,24+,26+/m0/s1
InChIKey
QQCQEURWVQZRPZ-BFLUCZKCSA-N
Compound name
1-[(2R,4S,5S)-4-hydroxy-5-trityloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

470.18417 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.19145 212.3
[M+Na]+ 493.17339 217.7
[M-H]- 469.17689 223.6
[M+NH4]+ 488.21799 215.1
[M+K]+ 509.14733 212.1
[M+H-H2O]+ 453.18143 200.2
[M+HCOO]- 515.18237 226.0
[M+CH3COO]- 529.19802 219.3
[M+Na-2H]- 491.15884 212.3
[M]+ 470.18362 210.7
[M]- 470.18472 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.