CID 56843695

Dtxsid50888133

Structural Information

Molecular Formula
C57H64O8
SMILES
CC(C)(C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C(C)(C)C3=CC=C(C=C3)OCC4CO4)C5=CC=C(C=C5)OCCCOC6=CC=C(C=C6)C(C)(C)C7=CC=C(C=C7)OCC8CO8
InChI
InChI=1S/C57H64O8/c1-55(2,41-9-21-47(22-10-41)58-33-7-35-60-49-25-13-43(14-26-49)56(3,4)45-17-29-51(30-18-45)62-37-53-39-64-53)42-11-23-48(24-12-42)59-34-8-36-61-50-27-15-44(16-28-50)57(5,6)46-19-31-52(32-20-46)63-38-54-40-65-54/h9-32,53-54H,7-8,33-40H2,1-6H3
InChIKey
QFNZROWGRTWJRE-UHFFFAOYSA-N
Compound name
2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

876.46014 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 877.46742 270.5
[M+Na]+ 899.44936 267.0
[M-H]- 875.45286 286.4
[M+NH4]+ 894.49396 251.3
[M+K]+ 915.42330 271.5
[M+H-H2O]+ 859.45740 257.9
[M+HCOO]- 921.45834 278.4
[M+CH3COO]- 935.47399 297.1
[M+Na-2H]- 897.43481 268.3
[M]+ 876.45959 281.0
[M]- 876.46069 281.0
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.