CID 470159

Bis(tert-butyloxymethyl) phenyl foscarnet

Structural Information

Molecular Formula
C19H27O9P
SMILES
CC(C)(C)C(=O)OCOP(=O)(C(=O)OC1=CC=CC=C1)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C19H27O9P/c1-18(2,3)15(20)24-12-26-29(23,27-13-25-16(21)19(4,5)6)17(22)28-14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3
InChIKey
BZGAITKPSDMLDO-UHFFFAOYSA-N
Compound name
[2,2-dimethylpropanoyloxymethoxy(phenoxycarbonyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.13928 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14656 196.4
[M+Na]+ 453.12850 190.1
[M-H]- 429.13200 186.5
[M+NH4]+ 448.17310 195.0
[M+K]+ 469.10244 202.1
[M+H-H2O]+ 413.13654 187.7
[M+HCOO]- 475.13748 202.2
[M+CH3COO]- 489.15313 223.5
[M+Na-2H]- 451.11395 198.4
[M]+ 430.13873 186.5
[M]- 430.13983 186.5
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.