CID 135484963

Hdp-pmeg

Structural Information

Molecular Formula
C27H50N5O6P
SMILES
CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C27H50N5O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36-19-16-20-38-39(34,35)23-37-21-17-32-22-29-24-25(32)30-27(28)31-26(24)33/h22H,2-21,23H2,1H3,(H,34,35)(H3,28,30,31,33)
InChIKey
FNXUDUGBYLABKC-UHFFFAOYSA-N
Compound name
2-(2-amino-6-oxo-1H-purin-9-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

571.34985 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.35713 243.2
[M+Na]+ 594.33907 243.5
[M-H]- 570.34257 236.3
[M+NH4]+ 589.38367 243.0
[M+K]+ 610.31301 238.5
[M+H-H2O]+ 554.34711 229.3
[M+HCOO]- 616.34805 260.1
[M+CH3COO]- 630.36370 253.6
[M+Na-2H]- 592.32452 239.0
[M]+ 571.34930 254.5
[M]- 571.35040 254.5
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

patents stripe