CID 85266197

Verimol h

Structural Information

Molecular Formula

C₂₀H₂₄O₄

SMILES

CC1C(OC(C(O1)C2=CC=C(C=C2)OC)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24O4/c1-13-19(15-5-9-17(21-3)10-6-15)24-14(2)20(23-13)16-7-11-18(22-4)12-8-16/h5-14,19-20H,1-4H3

InChIKey

TWEGIGPRPZZEHS-UHFFFAOYSA-N

Compound name

2,5-bis(4-methoxyphenyl)-3,6-dimethyl-1,4-dioxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 328.16745 Da
Monoisotopic Mass: 3.6
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]+	329.17473	179.7
[M+Na]+	351.15667	186.6
[M-H]-	327.16017	190.8
[M+NH4]+	346.20127	191.2
[M+K]+	367.13061	186.0
[M+H-H2O]+	311.16471	170.6
[M+HCOO]-	373.16565	198.0
[M+CH3COO]-	387.18130	211.4
[M+Na-2H]-	349.14212	181.8
[M]+	328.16690	182.8
[M]-	328.16800	182.8

Literature stripe

literature stripe

Patent stripe

patents stripe