CID 5037694

(2-chloro-7h-purin-6-yl)-furan-2-ylmethyl-amine

Structural Information

Molecular Formula

C₁₀H₈ClN₅O

SMILES

C1=COC(=C1)CNC2=NC(=NC3=C2NC=N3)Cl

InChI

InChI=1S/C10H8ClN5O/c11-10-15-8(7-9(16-10)14-5-13-7)12-4-6-2-1-3-17-6/h1-3,5H,4H2,(H2,12,13,14,15,16)

InChIKey

QGUOPVCOXHVPJX-UHFFFAOYSA-N

Compound name

2-chloro-N-(furan-2-ylmethyl)-7H-purin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 249.04173 Da
Monoisotopic Mass: 2.0
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]+	250.04901	149.4
[M+Na]+	272.03095	163.8
[M+NH4]+	267.07555	156.7
[M+K]+	288.00489	161.2
[M-H]-	248.03445	152.4
[M+Na-2H]-	270.01640	156.6
[M]+	249.04118	152.5
[M]-	249.04228	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe