CID 135461868

Chembl63784

Structural Information

Molecular Formula
C14H24N5O5P
SMILES
CC(C)OP(=O)(COCCN1C=NC2=C1C(=O)NC(=N2)N)OC(C)C
InChI
InChI=1S/C14H24N5O5P/c1-9(2)23-25(21,24-10(3)4)8-22-6-5-19-7-16-12-11(19)13(20)18-14(15)17-12/h7,9-10H,5-6,8H2,1-4H3,(H3,15,17,18,20)
InChIKey
WCADLGWLTITFJL-UHFFFAOYSA-N
Compound name
2-amino-7-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.15152 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.15880 186.9
[M+Na]+ 396.14074 193.7
[M-H]- 372.14424 184.1
[M+NH4]+ 391.18534 195.7
[M+K]+ 412.11468 192.1
[M+H-H2O]+ 356.14878 175.9
[M+HCOO]- 418.14972 207.8
[M+CH3COO]- 432.16537 218.0
[M+Na-2H]- 394.12619 186.4
[M]+ 373.15097 193.4
[M]- 373.15207 193.4
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

No patent data available for this compound.