CID 485257

Hpdda

Structural Information

Molecular Formula
C41H72N5O9P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C(N=CN=C32)N)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C41H72N5O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-37(47)51-29-35(55-38(48)26-24-22-20-18-16-14-12-10-8-6-4-2)31-53-56(49,50)52-30-34-27-28-36(54-34)46-33-45-39-40(42)43-32-44-41(39)46/h32-36H,3-31H2,1-2H3,(H,49,50)(H2,42,43,44)/t34-,35-,36+/m0/s1
InChIKey
KGWNJFGLCKJNSE-QGBCWPEESA-N
Compound name
[(2S)-3-[[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

809.5068 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 810.51408 269.8
[M+Na]+ 832.49602 286.2
[M-H]- 808.49952 267.6
[M+NH4]+ 827.54062 280.4
[M+K]+ 848.46996 275.3
[M+H-H2O]+ 792.50406 282.8
[M+HCOO]- 854.50500 287.1
[M+CH3COO]- 868.52065 296.5
[M+Na-2H]- 830.48147 285.2
[M]+ 809.50625 271.1
[M]- 809.50735 271.1
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.