CID 497287

Chembl466424

Structural Information

Molecular Formula
C23H21N2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP3(=O)OCC4=C(O3)C=CC(=C4)C5=CC=CC=C5
InChI
InChI=1S/C23H21N2O7P/c1-15-12-25(23(27)24-22(15)26)21-10-8-19(31-21)14-30-33(28)29-13-18-11-17(7-9-20(18)32-33)16-5-3-2-4-6-16/h2-12,19,21H,13-14H2,1H3,(H,24,26,27)/t19-,21+,33?/m0/s1
InChIKey
UPIORTQCYDXUFS-IUFZTWGPSA-N
Compound name
5-methyl-1-[(2R,5S)-5-[(2-oxo-6-phenyl-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

468.10864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.11592 209.4
[M+Na]+ 491.09786 217.2
[M-H]- 467.10136 220.3
[M+NH4]+ 486.14246 214.0
[M+K]+ 507.07180 216.5
[M+H-H2O]+ 451.10590 195.6
[M+HCOO]- 513.10684 228.1
[M+CH3COO]- 527.12249 217.9
[M+Na-2H]- 489.08331 207.6
[M]+ 468.10809 212.5
[M]- 468.10919 212.5
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.