CID 15958370

Hdp-pme-dap

Structural Information

Molecular Formula
C27H51N6O5P
SMILES
CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=NC2=C(N=C(N=C21)N)N)O
InChI
InChI=1S/C27H51N6O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36-19-16-20-38-39(34,35)23-37-21-17-33-22-30-24-25(28)31-27(29)32-26(24)33/h22H,2-21,23H2,1H3,(H,34,35)(H4,28,29,31,32)
InChIKey
VJEKLEPAXSYQSJ-UHFFFAOYSA-N
Compound name
2-(2,6-diaminopurin-9-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

570.36584 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.37312 243.0
[M+Na]+ 593.35506 242.9
[M-H]- 569.35856 237.1
[M+NH4]+ 588.39966 243.2
[M+K]+ 609.32900 238.4
[M+H-H2O]+ 553.36310 228.7
[M+HCOO]- 615.36404 261.6
[M+CH3COO]- 629.37969 259.2
[M+Na-2H]- 591.34051 238.9
[M]+ 570.36529 253.8
[M]- 570.36639 253.8
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.