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 294.8
[M+Na]+ 877.42862 286.3
[M-H]- 853.43212 303.3
[M+NH4]+ 872.47322 280.6
[M+K]+ 893.40256 286.8
[M+H-H2O]+ 837.43666 278.3
[M+HCOO]- 899.43760 296.1
[M+CH3COO]- 913.45325 297.3
[M+Na-2H]- 875.41407 290.9
[M]+ 854.43885 297.6
[M]- 854.43995 297.6
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.