CID 452312

Palmityl foscarnet

Structural Information

Molecular Formula
C17H35O5P
SMILES
CCCCCCCCCCCCCCCCOP(=O)(C(=O)O)O
InChI
InChI=1S/C17H35O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-23(20,21)17(18)19/h2-16H2,1H3,(H,18,19)(H,20,21)
InChIKey
PGHOBRCXAVJNSY-UHFFFAOYSA-N
Compound name
[hexadecoxy(hydroxy)phosphoryl]formic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

350.2222 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.22948 194.9
[M+Na]+ 373.21142 196.6
[M-H]- 349.21492 189.1
[M+NH4]+ 368.25602 187.9
[M+K]+ 389.18536 193.7
[M+H-H2O]+ 333.21946 186.2
[M+HCOO]- 395.22040 202.4
[M+CH3COO]- 409.23605 211.4
[M+Na-2H]- 371.19687 191.4
[M]+ 350.22165 202.8
[M]- 350.22275 202.8
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.