CID 164370

134999-64-7

Structural Information

Molecular Formula

C₁₇H₁₇N₃O₂

SMILES

CCOC1=CC=C(C=C1)CCOC2=NC=NC3=C2C=CC=N3

InChI

InChI=1S/C17H17N3O2/c1-2-21-14-7-5-13(6-8-14)9-11-22-17-15-4-3-10-18-16(15)19-12-20-17/h3-8,10,12H,2,9,11H2,1H3

InChIKey

LVQSKVLZPDWIDA-UHFFFAOYSA-N

Compound name

4-[2-(4-ethoxyphenyl)ethoxy]pyrido[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.13208 Da
Monoisotopic Mass: 3.4
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]+	296.139356	169.8
[M+Na]+	318.121298	178.0
[M-H]-	294.124804	172.8
[M+NH4]+	313.165903	181.5
[M+K]+	334.095238	172.9
[M+H-H2O]+	278.129340	158.6
[M+HCOO]-	340.130281	189.0
[M+CH3COO]-	354.145931	180.2
[M+Na-2H]-	316.106746	177.9
[M]+	295.13153142	173.3
[M]-	295.13262858	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe