CID 15891038

3,5-bis[3,5-bis(3,5-dimethoxybenzyloxy)benzyloxy]benzyl bromide

Structural Information

Molecular Formula
C57H59BrO14
SMILES
COC1=CC(=CC(=C1)COC2=CC(=CC(=C2)COC3=CC(=CC(=C3)CBr)OCC4=CC(=CC(=C4)OCC5=CC(=CC(=C5)OC)OC)OCC6=CC(=CC(=C6)OC)OC)OCC7=CC(=CC(=C7)OC)OC)OC
InChI
InChI=1S/C57H59BrO14/c1-59-44-11-38(12-45(23-44)60-2)31-69-54-19-42(20-55(28-54)70-32-39-13-46(61-3)24-47(14-39)62-4)35-67-52-9-37(30-58)10-53(27-52)68-36-43-21-56(71-33-40-15-48(63-5)25-49(16-40)64-6)29-57(22-43)72-34-41-17-50(65-7)26-51(18-41)66-8/h9-29H,30-36H2,1-8H3
InChIKey
BMISSUNAKMQTFS-UHFFFAOYSA-N
Compound name
1,3-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]-5-(bromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1046.3088 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1047.3161 344.2
[M+Na]+ 1069.2980 351.4
[M+NH4]+ 1064.3426 341.8
[M+K]+ 1085.2720 345.1
[M-H]- 1045.3015 353.3
[M+Na-2H]- 1067.2835 347.9
[M]+ 1046.3083 347.2
[M]- 1046.3093 347.2
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.