CID 270265

20419-68-5

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂N₄O

SMILES

C1CCOC(C1)N2C=NC3=C2N=C(N=C3Cl)Cl

InChI

InChI=1S/C10H10Cl2N4O/c11-8-7-9(15-10(12)14-8)16(5-13-7)6-3-1-2-4-17-6/h5-6H,1-4H2

InChIKey

ASNBMEFTEPQHDX-UHFFFAOYSA-N

Compound name

2,6-dichloro-9-(oxan-2-yl)purine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 652
Patents: 272.02316 Da
Monoisotopic Mass: 2.5
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]+	273.03044	154.8
[M+Na]+	295.01238	171.0
[M+NH4]+	290.05698	163.1
[M+K]+	310.98632	165.2
[M-H]-	271.01588	158.2
[M+Na-2H]-	292.99783	161.5
[M]+	272.02261	158.7
[M]-	272.02371	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe