CID 59734916

Phenyl hydrogen ((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate

Structural Information

Molecular Formula
C15H18N5O4P
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)OC3=CC=CC=C3
InChI
InChI=1S/C15H18N5O4P/c1-11(7-20-9-19-13-14(16)17-8-18-15(13)20)23-10-25(21,22)24-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,21,22)(H2,16,17,18)/t11-/m1/s1
InChIKey
ITAMCOCNZJPJDF-LLVKDONJSA-N
Compound name
[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

363.10965 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11693 182.3
[M+Na]+ 386.09887 189.1
[M-H]- 362.10237 182.5
[M+NH4]+ 381.14347 190.7
[M+K]+ 402.07281 186.0
[M+H-H2O]+ 346.10691 169.7
[M+HCOO]- 408.10785 204.6
[M+CH3COO]- 422.12350 213.5
[M+Na-2H]- 384.08432 185.0
[M]+ 363.10910 185.8
[M]- 363.11020 185.8
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

patents stripe