CID 470156

Bis(isopropyloxymethyl) ethyl foscarnet

Structural Information

Molecular Formula
C13H23O9P
SMILES
CCOC(=O)P(=O)(OCOC(=O)C(C)C)OCOC(=O)C(C)C
InChI
InChI=1S/C13H23O9P/c1-6-18-13(16)23(17,21-7-19-11(14)9(2)3)22-8-20-12(15)10(4)5/h9-10H,6-8H2,1-5H3
InChIKey
KIYXXBCLLCLTDT-UHFFFAOYSA-N
Compound name
[ethoxycarbonyl(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.10797 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11525 186.5
[M+Na]+ 377.09719 194.9
[M-H]- 353.10069 190.2
[M+NH4]+ 372.14179 200.1
[M+K]+ 393.07113 187.7
[M+H-H2O]+ 337.10523 183.9
[M+HCOO]- 399.10617 197.2
[M+CH3COO]- 413.12182 212.3
[M+Na-2H]- 375.08264 179.4
[M]+ 354.10742 188.6
[M]- 354.10852 188.6
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.