CID 157700

80854-21-3

Structural Information

Molecular Formula

C₂₃H₂₄O₃

SMILES

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

InChI

InChI=1S/C23H24O3/c1-23(2,19-11-13-20(24)14-12-19)17-25-16-18-7-6-10-22(15-18)26-21-8-4-3-5-9-21/h3-15,24H,16-17H2,1-2H3

InChIKey

VCQNNXOZNOPALT-UHFFFAOYSA-N

Compound name

4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]phenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 38
Patents: 348.17255 Da
Monoisotopic Mass: 6.4
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]+	349.179826	185.6
[M+Na]+	371.161768	191.0
[M-H]-	347.165274	193.4
[M+NH4]+	366.206373	197.3
[M+K]+	387.135708	186.0
[M+H-H2O]+	331.169810	176.1
[M+HCOO]-	393.170751	205.5
[M+CH3COO]-	407.186401	211.2
[M+Na-2H]-	369.147216	190.0
[M]+	348.17200142	187.5
[M]-	348.17309858	187.5

Literature stripe

literature stripe

Patent stripe

patents stripe