CID 453770

(bzo)6(ch2oh)2biph

Structural Information

Molecular Formula
C56H50O8
SMILES
C1=CC=C(C=C1)COC2=C(C(=C(C(=C2)CO)C3=C(C(=C(C=C3CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI
InChI=1S/C56H50O8/c57-33-47-31-49(59-35-41-19-7-1-8-20-41)53(61-37-43-23-11-3-12-24-43)55(63-39-45-27-15-5-16-28-45)51(47)52-48(34-58)32-50(60-36-42-21-9-2-10-22-42)54(62-38-44-25-13-4-14-26-44)56(52)64-40-46-29-17-6-18-30-46/h1-32,57-58H,33-40H2
InChIKey
MHNDTVPRCAPTDJ-UHFFFAOYSA-N
Compound name
[2-[6-(hydroxymethyl)-2,3,4-tris(phenylmethoxy)phenyl]-3,4,5-tris(phenylmethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

850.3506 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 851.35788 302.9
[M+Na]+ 873.33982 298.9
[M-H]- 849.34332 318.3
[M+NH4]+ 868.38442 289.3
[M+K]+ 889.31376 294.7
[M+H-H2O]+ 833.34786 280.4
[M+HCOO]- 895.34880 313.3
[M+CH3COO]- 909.36445 300.3
[M+Na-2H]- 871.32527 296.4
[M]+ 850.35005 304.2
[M]- 850.35115 304.2
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.