CID 2818094

1,1'-biphenyl, 2,2',5,5'-tetramethoxy-4,4'-dimethyl-

Structural Information

Molecular Formula
C18H22O4
SMILES
CC1=CC(=C(C=C1OC)C2=C(C=C(C(=C2)OC)C)OC)OC
InChI
InChI=1S/C18H22O4/c1-11-7-17(21-5)13(9-15(11)19-3)14-10-16(20-4)12(2)8-18(14)22-6/h7-10H,1-6H3
InChIKey
SIOPNRTXPDDOHV-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxy-4-methylphenyl)-2,5-dimethoxy-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

302.1518 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.159076 168.8
[M+Na]+ 325.141018 178.9
[M-H]- 301.144524 176.8
[M+NH4]+ 320.185623 185.1
[M+K]+ 341.114958 176.9
[M+H-H2O]+ 285.149060 161.1
[M+HCOO]- 347.150001 192.6
[M+CH3COO]- 361.165651 209.3
[M+Na-2H]- 323.126466 170.6
[M]+ 302.15125142 177.5
[M]- 302.15234858 177.5
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