CID 3017301

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

Structural Information

Molecular Formula
C18H22O4
SMILES
CC1=CC(=C(C=C1C2=CC(=C(C=C2C)OC)OC)OC)OC
InChI
InChI=1S/C18H22O4/c1-11-7-15(19-3)17(21-5)9-13(11)14-10-18(22-6)16(20-4)8-12(14)2/h7-10H,1-6H3
InChIKey
BYUPFZBHZMJFLY-UHFFFAOYSA-N
Compound name
1-(4,5-dimethoxy-2-methylphenyl)-4,5-dimethoxy-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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