CID 91820360

Lipol-amp

Structural Information

Molecular Formula
C18H28N5O7PS2
SMILES
C1CSS[C@@H]1CCCCCOP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O
InChI
InChI=1S/C18H28N5O7PS2/c19-16-13-17(21-9-20-16)23(10-22-13)18-15(25)14(24)12(30-18)8-29-31(26,27)28-6-3-1-2-4-11-5-7-32-33-11/h9-12,14-15,18,24-25H,1-8H2,(H,26,27)(H2,19,20,21)/t11-,12-,14-,15-,18-/m1/s1
InChIKey
AQQBJOLQDSFFFH-AJKMGBEJSA-N
Compound name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 5-[(3R)-dithiolan-3-yl]pentyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

521.11676 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.12404 207.7
[M+Na]+ 544.10598 211.3
[M+NH4]+ 539.15058 209.6
[M+K]+ 560.07992 213.3
[M-H]- 520.10948 207.5
[M+Na-2H]- 542.09143 206.2
[M]+ 521.11621 208.2
[M]- 521.11731 208.2
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.