CID 630576

3,3',4,4',5,5'-hexamethoxybiphenyl

Structural Information

Molecular Formula
C18H22O6
SMILES
COC1=CC(=CC(=C1OC)OC)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C18H22O6/c1-19-13-7-11(8-14(20-2)17(13)23-5)12-9-15(21-3)18(24-6)16(10-12)22-4/h7-10H,1-6H3
InChIKey
RKBIBGCWOVKDQJ-UHFFFAOYSA-N
Compound name
1,2,3-trimethoxy-5-(3,4,5-trimethoxyphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

334.14163 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.148906 174.8
[M+Na]+ 357.130848 184.3
[M-H]- 333.134354 182.6
[M+NH4]+ 352.175453 189.4
[M+K]+ 373.104788 183.7
[M+H-H2O]+ 317.138890 166.4
[M+HCOO]- 379.139831 198.8
[M+CH3COO]- 393.155481 213.6
[M+Na-2H]- 355.116296 176.7
[M]+ 334.14108142 186.3
[M]- 334.14217858 186.3
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