CID 3007975

Chembl60024

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

C1=CN(C2=NC=NC=C21)COC(CO)CO

InChI

InChI=1S/C10H13N3O3/c14-4-9(5-15)16-7-13-2-1-8-3-11-6-12-10(8)13/h1-3,6,9,14-15H,4-5,7H2

InChIKey

CMUZLZVKQXCENB-UHFFFAOYSA-N

Compound name

2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.09569 Da
Monoisotopic Mass: -0.8
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	146.8
[M+Na]+	246.08491	155.7
[M-H]-	222.08841	145.1
[M+NH4]+	241.12951	162.5
[M+K]+	262.05885	152.7
[M+H-H2O]+	206.09295	139.0
[M+HCOO]-	268.09389	165.8
[M+CH3COO]-	282.10954	182.7
[M+Na-2H]-	244.07036	153.3
[M]+	223.09514	149.9
[M]-	223.09624	149.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.