CID 3010389

Chembl305300

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

COC1=NC=NC2=C1C=CN2COCCO

InChI

InChI=1S/C10H13N3O3/c1-15-10-8-2-3-13(7-16-5-4-14)9(8)11-6-12-10/h2-3,6,14H,4-5,7H2,1H3

InChIKey

MYXLXOVCSVHVDO-UHFFFAOYSA-N

Compound name

2-[(4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.09569 Da
Monoisotopic Mass: 0.1
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]+	224.10297	146.4
[M+Na]+	246.08491	156.9
[M-H]-	222.08841	146.2
[M+NH4]+	241.12951	163.1
[M+K]+	262.05885	154.2
[M+H-H2O]+	206.09295	138.4
[M+HCOO]-	268.09389	167.8
[M+CH3COO]-	282.10954	185.5
[M+Na-2H]-	244.07036	153.6
[M]+	223.09514	152.3
[M]-	223.09624	152.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.