CID 170849881

Dtxsid501369688

Structural Information

Molecular Formula
C63H108O6
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C63H108O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-61(64)68-55-53-66-59-49-45-57(46-50-59)63(3,4)58-47-51-60(52-48-58)67-54-56-69-62(65)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h45-52H,5-44,53-56H2,1-4H3
InChIKey
SUQQHHWDOUOFQG-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-(2-docosanoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

960.8146 Da
Monoisotopic Mass

25.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 961.82188 303.6
[M+Na]+ 983.80382 308.5
[M-H]- 959.80732 285.5
[M+NH4]+ 978.84842 309.8
[M+K]+ 999.77776 314.6
[M+H-H2O]+ 943.81186 304.1
[M+HCOO]- 1005.8128 312.7
[M+CH3COO]- 1019.8285 329.8
[M+Na-2H]- 981.78927 282.7
[M]+ 960.81405 307.8
[M]- 960.81515 307.8
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.