CID 135398526

18f-fhbg

Structural Information

Molecular Formula

C₁₀H₁₄FN₅O₂

SMILES

C1=NC2=C(N1CCC(CO)C[18F])N=C(NC2=O)N

InChI

InChI=1S/C10H14FN5O2/c11-3-6(4-17)1-2-16-5-13-7-8(16)14-10(12)15-9(7)18/h5-6,17H,1-4H2,(H3,12,14,15,18)/i11-1

InChIKey

CEIVUGLBKBWVAE-KXMUYVCJSA-N

Compound name

2-amino-9-[3-((18F)fluoranylmethyl)-4-hydroxybutyl]-1H-purin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 360
Patents: 254.11569 Da
Monoisotopic Mass: -0.9
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]+	255.12297	154.7
[M+Na]+	277.10491	164.9
[M-H]-	253.10841	150.6
[M+NH4]+	272.14951	167.7
[M+K]+	293.07885	159.7
[M+H-H2O]+	237.11295	145.6
[M+HCOO]-	299.11389	171.6
[M+CH3COO]-	313.12954	192.5
[M+Na-2H]-	275.09036	158.5
[M]+	254.11514	154.3
[M]-	254.11624	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe