CID 10925590

222631-56-3

Structural Information

Molecular Formula

C₂₀H₁₇N₃O₂

SMILES

C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O2/c1-3-7-15(8-4-1)13-24-19-18-17(11-12-21-18)22-20(23-19)25-14-16-9-5-2-6-10-16/h1-12,21H,13-14H2

InChIKey

NCMBDASTCHYLQY-UHFFFAOYSA-N

Compound name

2,4-bis(phenylmethoxy)-5H-pyrrolo[3,2-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 331.13208 Da
Monoisotopic Mass: 4.0
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]+	332.139356	176.5
[M+Na]+	354.121298	185.1
[M-H]-	330.124804	182.1
[M+NH4]+	349.165903	187.5
[M+K]+	370.095238	178.0
[M+H-H2O]+	314.129340	165.2
[M+HCOO]-	376.130281	196.7
[M+CH3COO]-	390.145931	186.7
[M+Na-2H]-	352.106746	182.9
[M]+	331.13153142	178.8
[M]-	331.13262858	178.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe