CID 285108

Diveratryl ether

Structural Information

Molecular Formula
C18H22O5
SMILES
COC1=C(C=C(C=C1)COCC2=CC(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C18H22O5/c1-19-15-7-5-13(9-17(15)21-3)11-23-12-14-6-8-16(20-2)18(10-14)22-4/h5-10H,11-12H2,1-4H3
InChIKey
KTFBMMKWTQVUIV-UHFFFAOYSA-N
Compound name
4-[(3,4-dimethoxyphenyl)methoxymethyl]-1,2-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

951
Patents

318.14673 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15401 173.1
[M+Na]+ 341.13595 181.1
[M-H]- 317.13945 180.2
[M+NH4]+ 336.18055 187.9
[M+K]+ 357.10989 179.6
[M+H-H2O]+ 301.14399 164.6
[M+HCOO]- 363.14493 197.1
[M+CH3COO]- 377.16058 208.9
[M+Na-2H]- 339.12140 176.3
[M]+ 318.14618 182.3
[M]- 318.14728 182.3
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