CID 452126

Bis(tert-butyloxymethyl) methyl foscarnet

Structural Information

Molecular Formula
C14H25O9P
SMILES
CC(C)(C)C(=O)OCOP(=O)(C(=O)OC)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C14H25O9P/c1-13(2,3)10(15)20-8-22-24(18,12(17)19-7)23-9-21-11(16)14(4,5)6/h8-9H2,1-7H3
InChIKey
LBYUETVDVFUNOO-UHFFFAOYSA-N
Compound name
[2,2-dimethylpropanoyloxymethoxy(methoxycarbonyl)phosphoryl]oxymethyl 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12363 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13091 183.1
[M+Na]+ 391.11285 190.2
[M-H]- 367.11635 189.0
[M+NH4]+ 386.15745 196.6
[M+K]+ 407.08679 184.9
[M+H-H2O]+ 351.12089 176.0
[M+HCOO]- 413.12183 200.2
[M+CH3COO]- 427.13748 213.0
[M+Na-2H]- 389.09830 175.7
[M]+ 368.12308 188.4
[M]- 368.12418 188.4
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.