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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 177.9
[M+Na]+ 351.15667 193.6
[M+NH4]+ 346.20127 186.1
[M+K]+ 367.13061 186.3
[M-H]- 327.16017 187.2
[M+Na-2H]- 349.14212 185.7
[M]+ 328.16690 183.1
[M]- 328.16800 183.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe