CID 15958375

Hdp-pme-5fu

Structural Information

Molecular Formula
C26H48FN2O7P
SMILES
CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=C(C(=O)NC1=O)F)O
InChI
InChI=1S/C26H48FN2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-34-19-16-20-36-37(32,33)23-35-21-17-29-22-24(27)25(30)28-26(29)31/h22H,2-21,23H2,1H3,(H,32,33)(H,28,30,31)
InChIKey
TXOCIIKSCSJNOL-UHFFFAOYSA-N
Compound name
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

550.3183 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.32558 237.9
[M+Na]+ 573.30752 224.3
[M-H]- 549.31102 209.5
[M+NH4]+ 568.35212 219.3
[M+K]+ 589.28146 233.8
[M+H-H2O]+ 533.31556 224.0
[M+HCOO]- 595.31650 237.5
[M+CH3COO]- 609.33215 247.6
[M+Na-2H]- 571.29297 232.1
[M]+ 550.31775 215.4
[M]- 550.31885 215.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.