CID 10362748

142341-05-7

Structural Information

Molecular Formula
C14H22N5O6P
SMILES
CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)O
InChI
InChI=1S/C14H22N5O6P/c1-14(2,3)13(20)24-8-25-26(21,22)9-23-5-4-19-7-18-10-11(15)16-6-17-12(10)19/h6-7H,4-5,8-9H2,1-3H3,(H,21,22)(H2,15,16,17)
InChIKey
MYHVYLHIHRHSDC-UHFFFAOYSA-N
Compound name
2-(6-aminopurin-9-yl)ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

387.13077 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13805 190.5
[M+Na]+ 410.11999 196.7
[M-H]- 386.12349 187.6
[M+NH4]+ 405.16459 198.5
[M+K]+ 426.09393 196.0
[M+H-H2O]+ 370.12803 179.6
[M+HCOO]- 432.12897 210.8
[M+CH3COO]- 446.14462 217.2
[M+Na-2H]- 408.10544 193.6
[M]+ 387.13022 197.7
[M]- 387.13132 197.7
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