CID 156276279

Schembl23247633

Structural Information

Molecular Formula
C13H20N5O4P
SMILES
CC1COP(=O)(OC1)CO[C@H](C)CN2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C13H20N5O4P/c1-9-4-21-23(19,22-5-9)8-20-10(2)3-18-7-17-11-12(14)15-6-16-13(11)18/h6-7,9-10H,3-5,8H2,1-2H3,(H2,14,15,16)/t9?,10-,23?/m1/s1
InChIKey
UQMCAXFBJFBTLI-GTMBGNGNSA-N
Compound name
9-[(2R)-2-[(5-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methoxy]propyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

341.1253 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13258 178.8
[M+Na]+ 364.11452 186.2
[M-H]- 340.11802 180.9
[M+NH4]+ 359.15912 188.4
[M+K]+ 380.08846 186.1
[M+H-H2O]+ 324.12256 166.3
[M+HCOO]- 386.12350 198.8
[M+CH3COO]- 400.13915 211.8
[M+Na-2H]- 362.09997 179.4
[M]+ 341.12475 181.8
[M]- 341.12585 181.8
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

patents stripe