CID 16115138

1-[(2r,5s)-5-[[(2s)-8-[2-hydroxy-3-(hydroxymethyl)phenyl]-2-oxo-4h-1,3,2$l^{5}-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C24H23N2O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@]3(=O)OCC4=C(O3)C(=CC=C4)C5=CC=CC(=C5O)CO
InChI
InChI=1S/C24H23N2O9P/c1-14-10-26(24(30)25-23(14)29)20-9-8-17(34-20)13-33-36(31)32-12-16-5-3-7-19(22(16)35-36)18-6-2-4-15(11-27)21(18)28/h2-10,17,20,27-28H,11-13H2,1H3,(H,25,29,30)/t17-,20+,36-/m0/s1
InChIKey
ONCMROQDJNEQJX-RRFCSTKJSA-N
Compound name
1-[(2R,5S)-5-[[(2S)-8-[2-hydroxy-3-(hydroxymethyl)phenyl]-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

514.11414 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.12142 219.6
[M+Na]+ 537.10336 226.9
[M-H]- 513.10686 228.7
[M+NH4]+ 532.14796 221.3
[M+K]+ 553.07730 226.7
[M+H-H2O]+ 497.11140 206.4
[M+HCOO]- 559.11234 235.1
[M+CH3COO]- 573.12799 238.1
[M+Na-2H]- 535.08881 216.4
[M]+ 514.11359 223.5
[M]- 514.11469 223.5
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.