CID 470158

Bis(isopropyloxymethyl) phenyl foscarnet

Structural Information

Molecular Formula
C17H23O9P
SMILES
CC(C)C(=O)OCOP(=O)(C(=O)OC1=CC=CC=C1)OCOC(=O)C(C)C
InChI
InChI=1S/C17H23O9P/c1-12(2)15(18)22-10-24-27(21,25-11-23-16(19)13(3)4)17(20)26-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
InChIKey
CRIYOIARLLUJEB-UHFFFAOYSA-N
Compound name
[2-methylpropanoyloxymethoxy(phenoxycarbonyl)phosphoryl]oxymethyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.10797 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.11525 188.0
[M+Na]+ 425.09719 190.8
[M-H]- 401.10069 189.5
[M+NH4]+ 420.14179 195.0
[M+K]+ 441.07113 193.4
[M+H-H2O]+ 385.10523 178.4
[M+HCOO]- 447.10617 196.3
[M+CH3COO]- 461.12182 219.9
[M+Na-2H]- 423.08264 185.3
[M]+ 402.10742 198.5
[M]- 402.10852 198.5
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.