CID 485307

1-(2',3',5',6'-tetradeoxy-6'-diphenoxyphosphono-beta-d-erythro-hexofuranosyl)uracil

Structural Information

Molecular Formula
C22H23N2O6P
SMILES
C1C[C@@H](O[C@@H]1CCP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)N4C=CC(=O)NC4=O
InChI
InChI=1S/C22H23N2O6P/c25-20-13-15-24(22(26)23-20)21-12-11-17(28-21)14-16-31(27,29-18-7-3-1-4-8-18)30-19-9-5-2-6-10-19/h1-10,13,15,17,21H,11-12,14,16H2,(H,23,25,26)/t17-,21+/m0/s1
InChIKey
DZVOSCFHJQRAII-LAUBAEHRSA-N
Compound name
1-[(2R,5S)-5-(2-diphenoxyphosphorylethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.12936 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.13664 200.9
[M+Na]+ 465.11858 205.2
[M-H]- 441.12208 208.7
[M+NH4]+ 460.16318 205.8
[M+K]+ 481.09252 202.2
[M+H-H2O]+ 425.12662 187.1
[M+HCOO]- 487.12756 222.2
[M+CH3COO]- 501.14321 223.2
[M+Na-2H]- 463.10403 199.9
[M]+ 442.12881 201.8
[M]- 442.12991 201.8
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.