CID 499507

Nsc682699

Structural Information

Molecular Formula
C20H24N3O8P
SMILES
CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(NC(CC3=CC=CC=C3)C(=O)OC)O
InChI
InChI=1S/C20H24N3O8P/c1-13-11-23(20(26)21-18(13)24)17-9-8-15(31-17)12-30-32(27,28)22-16(19(25)29-2)10-14-6-4-3-5-7-14/h3-9,11,15-17H,10,12H2,1-2H3,(H,21,24,26)(H2,22,27,28)
InChIKey
VAKXMSZDJZZHIA-UHFFFAOYSA-N
Compound name
N-(1-methoxy-1-oxo-3-phenylpropan-2-yl)-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.1301 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.13738 203.3
[M+Na]+ 488.11932 206.8
[M-H]- 464.12282 207.7
[M+NH4]+ 483.16392 206.9
[M+K]+ 504.09326 206.2
[M+H-H2O]+ 448.12736 191.1
[M+HCOO]- 510.12830 223.9
[M+CH3COO]- 524.14395 230.3
[M+Na-2H]- 486.10477 201.1
[M]+ 465.12955 206.8
[M]- 465.13065 206.8
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.