CID 10072189

Chembl52614

Structural Information

Molecular Formula
C16H24N5O8P
SMILES
CCC(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)CC
InChI
InChI=1S/C16H24N5O8P/c1-3-12(22)26-9-28-30(24,29-10-27-13(23)4-2)11-25-6-5-21-8-20-14-15(17)18-7-19-16(14)21/h7-8H,3-6,9-11H2,1-2H3,(H2,17,18,19)
InChIKey
CVPQBJFMJMSTNY-UHFFFAOYSA-N
Compound name
[2-(6-aminopurin-9-yl)ethoxymethyl-(propanoyloxymethoxy)phosphoryl]oxymethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.13626 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.14354 196.8
[M+Na]+ 468.12548 201.5
[M-H]- 444.12898 194.7
[M+NH4]+ 463.17008 202.6
[M+K]+ 484.09942 202.2
[M+H-H2O]+ 428.13352 184.5
[M+HCOO]- 490.13446 219.2
[M+CH3COO]- 504.15011 229.2
[M+Na-2H]- 466.11093 198.0
[M]+ 445.13571 208.5
[M]- 445.13681 208.5
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.