CID 91753

Pyriproxyfen

Structural Information

Molecular Formula

C₂₀H₁₉NO₃

SMILES

CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3

InChI

InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3

InChIKey

NHDHVHZZCFYRSB-UHFFFAOYSA-N

Compound name

2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 616
References: 54081
Patents: 321.1365 Da
Monoisotopic Mass: 4.8
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]+	322.14378	175.9
[M+Na]+	344.12572	181.4
[M-H]-	320.12922	183.6
[M+NH4]+	339.17032	187.5
[M+K]+	360.09966	177.5
[M+H-H2O]+	304.13376	165.1
[M+HCOO]-	366.13470	197.6
[M+CH3COO]-	380.15035	206.6
[M+Na-2H]-	342.11117	181.2
[M]+	321.13595	178.5
[M]-	321.13705	178.5

Literature stripe

literature stripe

Patent stripe

patents stripe