CID 472230

Chembl305571

Structural Information

Molecular Formula
C14H23ClN5O4P
SMILES
CC(C)OP(=O)(COCCN1C=NC2=C(N=C(N=C21)Cl)N)OC(C)C
InChI
InChI=1S/C14H23ClN5O4P/c1-9(2)23-25(21,24-10(3)4)8-22-6-5-20-7-17-11-12(16)18-14(15)19-13(11)20/h7,9-10H,5-6,8H2,1-4H3,(H2,16,18,19)
InChIKey
LUEMTQVZPJWBSL-UHFFFAOYSA-N
Compound name
2-chloro-9-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

391.1176 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12488 188.4
[M+Na]+ 414.10682 196.4
[M-H]- 390.11032 186.9
[M+NH4]+ 409.15142 198.3
[M+K]+ 430.08076 193.9
[M+H-H2O]+ 374.11486 177.5
[M+HCOO]- 436.11580 205.9
[M+CH3COO]- 450.13145 222.3
[M+Na-2H]- 412.09227 187.9
[M]+ 391.11705 198.0
[M]- 391.11815 198.0
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.