CID 71311169

Araldite

Structural Information

Molecular Formula
C54H62O9
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(COC3=CC=C(C=C3)C(C)(C)C4=CC=C(C=C4)OCC(COC5=CC=C(C=C5)C(C)(C)C6=CC=C(C=C6)OCC(CO)O)O)O
InChI
InChI=1S/C54H62O9/c1-52(2,38-10-8-7-9-11-38)39-12-24-48(25-13-39)60-34-45(57)35-61-50-28-18-42(19-29-50)54(5,6)43-20-30-51(31-21-43)63-37-46(58)36-62-49-26-16-41(17-27-49)53(3,4)40-14-22-47(23-15-40)59-33-44(56)32-55/h7-31,44-46,55-58H,32-37H2,1-6H3
InChIKey
XZLNMOVIMRLOCV-UHFFFAOYSA-N
Compound name
3-[4-[2-[4-[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

114
References

0
Patents

854.4394 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 855.44668 309.6
[M+Na]+ 877.42862 320.5
[M+NH4]+ 872.47322 310.1
[M+K]+ 893.40256 313.7
[M-H]- 853.43212 317.2
[M+Na-2H]- 875.41407 318.4
[M]+ 854.43885 313.5
[M]- 854.43995 313.5
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

No patent data available for this compound.