CID 15958373

Hdp-hpmp-dap

Structural Information

Molecular Formula
C28H53N6O6P
SMILES
CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](CN1C=NC2=C(N=C(N=C21)N)N)CO)O
InChI
InChI=1S/C28H53N6O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-38-18-16-19-40-41(36,37)23-39-24(21-35)20-34-22-31-25-26(29)32-28(30)33-27(25)34/h22,24,35H,2-21,23H2,1H3,(H,36,37)(H4,29,30,32,33)/t24-/m0/s1
InChIKey
YYSSTJICDIBYLL-DEOSSOPVSA-N
Compound name
[(2S)-1-(2,6-diaminopurin-9-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

600.3764 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.38368 248.4
[M+Na]+ 623.36562 246.6
[M-H]- 599.36912 241.1
[M+NH4]+ 618.41022 246.4
[M+K]+ 639.33956 242.9
[M+H-H2O]+ 583.37366 234.3
[M+HCOO]- 645.37460 264.3
[M+CH3COO]- 659.39025 262.7
[M+Na-2H]- 621.35107 243.0
[M]+ 600.37585 258.3
[M]- 600.37695 258.3
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.