CID 11247571

1-[(2r,5s)-5-[[8-(2-hydroxyethyl)-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
C19H21N2O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP3(=O)OCC4=C(O3)C(=CC=C4)CCO
InChI
InChI=1S/C19H21N2O8P/c1-12-9-21(19(24)20-18(12)23)16-6-5-15(28-16)11-27-30(25)26-10-14-4-2-3-13(7-8-22)17(14)29-30/h2-6,9,15-16,22H,7-8,10-11H2,1H3,(H,20,23,24)/t15-,16+,30?/m0/s1
InChIKey
BALKCUPAIZXEFG-HZZXRAHOSA-N
Compound name
1-[(2R,5S)-5-[[8-(2-hydroxyethyl)-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

0
References

0
Patents

436.10355 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.11083 199.3
[M+Na]+ 459.09277 207.1
[M-H]- 435.09627 206.1
[M+NH4]+ 454.13737 205.3
[M+K]+ 475.06671 207.1
[M+H-H2O]+ 419.10081 187.7
[M+HCOO]- 481.10175 217.2
[M+CH3COO]- 495.11740 223.3
[M+Na-2H]- 457.07822 198.4
[M]+ 436.10300 204.1
[M]- 436.10410 204.1
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.