CID 3067120

80843-65-8

Structural Information

Molecular Formula

C₂₄H₂₆O₃

SMILES

CC(C)(COCC1=CC(=CC=C1)OC2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C24H26O3/c1-24(2,20-9-5-4-6-10-20)18-26-17-19-8-7-11-23(16-19)27-22-14-12-21(25-3)13-15-22/h4-16H,17-18H2,1-3H3

InChIKey

YEMDMPPNPIJJOF-UHFFFAOYSA-N

Compound name

1-methoxy-4-[3-[(2-methyl-2-phenylpropoxy)methyl]phenoxy]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 362.1882 Da
Monoisotopic Mass: 6.7
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]+	363.195476	190.3
[M+Na]+	385.177418	195.7
[M-H]-	361.180924	199.3
[M+NH4]+	380.222023	202.2
[M+K]+	401.151358	191.4
[M+H-H2O]+	345.185460	180.3
[M+HCOO]-	407.186401	211.4
[M+CH3COO]-	421.202051	216.5
[M+Na-2H]-	383.162866	194.6
[M]+	362.18765142	194.4
[M]-	362.18874858	194.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe