CID 4255842

1,3,5-trimethoxy-2-((2,4,6-trimethoxyphenyl)ethynyl)benzene

Structural Information

Molecular Formula
C20H22O6
SMILES
COC1=CC(=C(C(=C1)OC)C#CC2=C(C=C(C=C2OC)OC)OC)OC
InChI
InChI=1S/C20H22O6/c1-21-13-9-17(23-3)15(18(10-13)24-4)7-8-16-19(25-5)11-14(22-2)12-20(16)26-6/h9-12H,1-6H3
InChIKey
FWUBMWARRPTEQP-UHFFFAOYSA-N
Compound name
1,3,5-trimethoxy-2-[2-(2,4,6-trimethoxyphenyl)ethynyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.14163 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.148906 179.1
[M+Na]+ 381.130848 190.5
[M-H]- 357.134354 184.3
[M+NH4]+ 376.175453 191.1
[M+K]+ 397.104788 187.1
[M+H-H2O]+ 341.138890 165.1
[M+HCOO]- 403.139831 196.8
[M+CH3COO]- 417.155481 220.9
[M+Na-2H]- 379.116296 179.3
[M]+ 358.14108142 183.6
[M]- 358.14217858 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.