CID 472233

Chembl553565

Structural Information

Molecular Formula
C14H23ClN5O4P
SMILES
CC(C)OP(=O)(COCCN1C=NC2=C1N=C(N=C2Cl)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(15)18-14(16)19-13(11)20/h7,9-10H,5-6,8H2,1-4H3,(H2,16,18,19)
InChIKey
VPODKOINXYQOJB-UHFFFAOYSA-N
Compound name
6-chloro-9-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]purin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
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

patents stripe