CID 15959381

Ppm-cpr-dap

Structural Information

Molecular Formula

C₁₂H₁₉N₆O₄P

SMILES

C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)COCCCP(=O)(O)O

InChI

InChI=1S/C12H19N6O4P/c13-12-16-10(15-8-2-3-8)9-11(17-12)18(6-14-9)7-22-4-1-5-23(19,20)21/h6,8H,1-5,7H2,(H2,19,20,21)(H3,13,15,16,17)

InChIKey

OBCDAMRIRYXTIU-UHFFFAOYSA-N

Compound name

3-[[2-amino-6-(cyclopropylamino)purin-9-yl]methoxy]propylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 342.12054 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	343.127816	183.2
[M+Na]+	365.109758	192.0
[M-H]-	341.113264	182.8
[M+NH4]+	360.154363	187.9
[M+K]+	381.083698	185.6
[M+H-H2O]+	325.117800	172.8
[M+HCOO]-	387.118741	205.9
[M+CH3COO]-	401.134391	212.7
[M+Na-2H]-	363.095206	185.4
[M]+	342.11999142	187.8
[M]-	342.12108858	187.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.