CID 59734916

379270-35-6

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 180.8
[M+Na]+ 386.09887 191.3
[M+NH4]+ 381.14347 184.3
[M+K]+ 402.07281 190.0
[M-H]- 362.10237 180.3
[M+Na-2H]- 384.08432 185.8
[M]+ 363.10910 181.7
[M]- 363.11020 181.7
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