CID 5482361

Chembl275687

Structural Information

Molecular Formula
C18H23N6O5P
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(NCC(=O)OC)OC3=CC=CC=C3
InChI
InChI=1S/C18H23N6O5P/c1-13(9-24-11-22-16-17(19)20-10-21-18(16)24)28-12-30(26,23-8-15(25)27-2)29-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,23,26)(H2,19,20,21)/t13-,30?/m1/s1
InChIKey
RIFUFUCBOKDLQN-SGSXECEGSA-N
Compound name
methyl 2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.14676 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.15404 197.4
[M+Na]+ 457.13598 201.8
[M-H]- 433.13948 198.7
[M+NH4]+ 452.18058 203.0
[M+K]+ 473.10992 200.0
[M+H-H2O]+ 417.14402 183.9
[M+HCOO]- 479.14496 220.6
[M+CH3COO]- 493.16061 231.3
[M+Na-2H]- 455.12143 199.5
[M]+ 434.14621 202.9
[M]- 434.14731 202.9
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.