CID 156283860

Schembl23256792

Structural Information

Molecular Formula
C16H24N5O6P
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP3(=O)OCC(CO3)CCC(=O)OC
InChI
InChI=1S/C16H24N5O6P/c1-11(5-21-9-20-14-15(17)18-8-19-16(14)21)25-10-28(23)26-6-12(7-27-28)3-4-13(22)24-2/h8-9,11-12H,3-7,10H2,1-2H3,(H2,17,18,19)/t11-,12?,28?/m1/s1
InChIKey
ALAHCPWQHPMJDS-LOSAYCHHSA-N
Compound name
methyl 3-[2-[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl]-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

413.14642 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.15370 194.6
[M+Na]+ 436.13564 200.0
[M-H]- 412.13914 196.4
[M+NH4]+ 431.18024 200.8
[M+K]+ 452.10958 200.9
[M+H-H2O]+ 396.14368 181.8
[M+HCOO]- 458.14462 213.1
[M+CH3COO]- 472.16027 224.7
[M+Na-2H]- 434.12109 193.6
[M]+ 413.14587 200.0
[M]- 413.14697 200.0
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.