CID 6335159

[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy(methylethoxy)phosphino-1-one

Structural Information

Molecular Formula
C13H19N5O4P
SMILES
CC(C)O[P+](=O)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C13H19N5O4P/c1-8(2)22-23(19)20-5-9-3-4-10(21-9)18-7-17-11-12(14)15-6-16-13(11)18/h6-10H,3-5H2,1-2H3,(H2,14,15,16)/q+1/t9-,10+/m0/s1
InChIKey
LMDIRXZFINSURE-VHSXEESVSA-N
Compound name
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxo-propan-2-yloxyphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.11746 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12474 174.7
[M+Na]+ 363.10668 180.7
[M-H]- 339.11018 177.2
[M+NH4]+ 358.15128 185.1
[M+K]+ 379.08062 175.1
[M+H-H2O]+ 323.11472 165.5
[M+HCOO]- 385.11566 196.7
[M+CH3COO]- 399.13131 205.1
[M+Na-2H]- 361.09213 175.0
[M]+ 340.11691 176.9
[M]- 340.11801 176.9
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.