CID 472235

Chembl303586

Structural Information

Molecular Formula
C24H44N5O4P
SMILES
CC(C)CCCCCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCCCCCC(C)C
InChI
InChI=1S/C24H44N5O4P/c1-20(2)11-7-5-9-14-32-34(30,33-15-10-6-8-12-21(3)4)19-31-16-13-29-18-28-22-23(25)26-17-27-24(22)29/h17-18,20-21H,5-16,19H2,1-4H3,(H2,25,26,27)
InChIKey
HVWMMLVIGXKQEX-UHFFFAOYSA-N
Compound name
9-[2-[bis(6-methylheptoxy)phosphorylmethoxy]ethyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

497.31308 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.32036 229.5
[M+Na]+ 520.30230 231.3
[M-H]- 496.30580 225.7
[M+NH4]+ 515.34690 233.7
[M+K]+ 536.27624 228.3
[M+H-H2O]+ 480.31034 215.9
[M+HCOO]- 542.31128 248.1
[M+CH3COO]- 556.32693 246.3
[M+Na-2H]- 518.28775 225.0
[M]+ 497.31253 240.1
[M]- 497.31363 240.1
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.