CID 16072591

2-[2-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-4h-1,3,2$l^{5}-benzodioxaphosphinin-8-yl]ethyl 4-oxopentanoate

Structural Information

Molecular Formula
C24H27N2O10P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP3(=O)OCC4=C(O3)C(=CC=C4)CCOC(=O)CCC(=O)C
InChI
InChI=1S/C24H27N2O10P/c1-15-12-26(24(30)25-23(15)29)20-8-7-19(35-20)14-34-37(31)33-13-18-5-3-4-17(22(18)36-37)10-11-32-21(28)9-6-16(2)27/h3-5,7-8,12,19-20H,6,9-11,13-14H2,1-2H3,(H,25,29,30)/t19-,20+,37?/m0/s1
InChIKey
LKNOHUUXSHYZFQ-MLVDMJNASA-N
Compound name
2-[2-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-8-yl]ethyl 4-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.1403 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.14758 220.7
[M+Na]+ 557.12952 225.7
[M-H]- 533.13302 228.1
[M+NH4]+ 552.17412 222.7
[M+K]+ 573.10346 227.7
[M+H-H2O]+ 517.13756 208.6
[M+HCOO]- 579.13850 237.0
[M+CH3COO]- 593.15415 244.6
[M+Na-2H]- 555.11497 217.0
[M]+ 534.13975 228.9
[M]- 534.14085 228.9
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.