CID 255605

22699-97-4

Structural Information

Molecular Formula
C18H20O6
SMILES
COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC
InChI
InChI=1S/C18H20O6/c1-20-13-7-6-11(8-14(13)21-2)17(19)12-9-15(22-3)18(24-5)16(10-12)23-4/h6-10H,1-5H3
InChIKey
LEGVQFQAMCUMQW-UHFFFAOYSA-N
Compound name
(3,4-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

28
Patents

332.12598 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13326 173.6
[M+Na]+ 355.11520 182.3
[M-H]- 331.11870 181.2
[M+NH4]+ 350.15980 187.9
[M+K]+ 371.08914 181.6
[M+H-H2O]+ 315.12324 165.3
[M+HCOO]- 377.12418 197.0
[M+CH3COO]- 391.13983 212.5
[M+Na-2H]- 353.10065 175.2
[M]+ 332.12543 183.4
[M]- 332.12653 183.4
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