CID 156642316

Chembl5089390

Structural Information

Molecular Formula
C24H44N5O4P
SMILES
CCCCCCCCCCCCCCCOP(=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C24H44N5O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33-34(30,31)20-32-21(2)17-29-19-28-22-23(25)26-18-27-24(22)29/h18-19,21H,3-17,20H2,1-2H3,(H,30,31)(H2,25,26,27)/t21-/m1/s1
InChIKey
ZENCYUYEIXWQCN-OAQYLSRUSA-N
Compound name
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-pentadecoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

497.31308 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.32036 229.1
[M+Na]+ 520.30230 230.6
[M-H]- 496.30580 223.8
[M+NH4]+ 515.34690 232.6
[M+K]+ 536.27624 226.3
[M+H-H2O]+ 480.31034 215.5
[M+HCOO]- 542.31128 247.1
[M+CH3COO]- 556.32693 243.3
[M+Na-2H]- 518.28775 225.2
[M]+ 497.31253 238.4
[M]- 497.31363 238.4
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