CID 168265245

[(1r)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-nonadecoxy-phosphinic acid

Structural Information

Molecular Formula
C28H52N5O4P
SMILES
CCCCCCCCCCCCCCCCCCCOP(=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C28H52N5O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37-38(34,35)24-36-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
InChIKey
FQKZBVXTCZEJNW-RUZDIDTESA-N
Compound name
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-nonadecoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

553.3757 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.38298 245.9
[M+Na]+ 576.36492 245.6
[M-H]- 552.36842 239.8
[M+NH4]+ 571.40952 247.1
[M+K]+ 592.33886 240.5
[M+H-H2O]+ 536.37296 231.6
[M+HCOO]- 598.37390 262.5
[M+CH3COO]- 612.38955 254.6
[M+Na-2H]- 574.35037 240.2
[M]+ 553.37515 256.5
[M]- 553.37625 256.5
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.