CID 561351

3,5-dibenzyloxybenzaldehyde

Structural Information

Molecular Formula

C₂₁H₁₈O₃

SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2)C=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H18O3/c22-14-19-11-20(23-15-17-7-3-1-4-8-17)13-21(12-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2

InChIKey

CHUAMRVJSRBRHT-UHFFFAOYSA-N

Compound name

3,5-bis(phenylmethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 219
Patents: 318.12558 Da
Monoisotopic Mass: 4.3
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]+	319.13286	175.3
[M+Na]+	341.11480	182.0
[M-H]-	317.11830	184.6
[M+NH4]+	336.15940	188.8
[M+K]+	357.08874	177.0
[M+H-H2O]+	301.12284	165.4
[M+HCOO]-	363.12378	199.2
[M+CH3COO]-	377.13943	206.5
[M+Na-2H]-	339.10025	180.4
[M]+	318.12503	178.1
[M]-	318.12613	178.1

Literature stripe

literature stripe

Patent stripe

patents stripe