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]+ 359.14891 179.1
[M+Na]+ 381.13085 190.5
[M-H]- 357.13435 184.3
[M+NH4]+ 376.17545 191.1
[M+K]+ 397.10479 187.1
[M+H-H2O]+ 341.13889 165.1
[M+HCOO]- 403.13983 196.8
[M+CH3COO]- 417.15548 220.9
[M+Na-2H]- 379.11630 179.3
[M]+ 358.14108 183.6
[M]- 358.14218 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.