CID 122374280

1,3-bis(2-(hexadecanoyloxy)ethoxy)benzene

Structural Information

Molecular Formula
C42H74O6
SMILES
CCCCCCCCCCCCCCCC(=O)OCCOC1=CC(=CC=C1)OCCOC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C42H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-41(43)47-36-34-45-39-30-29-31-40(38-39)46-35-37-48-42(44)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,38H,3-28,32-37H2,1-2H3
InChIKey
IQSJVXCHIFJPKJ-UHFFFAOYSA-N
Compound name
2-[3-(2-hexadecanoyloxyethoxy)phenoxy]ethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.5485 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.55578 275.5
[M+Na]+ 697.53772 274.8
[M+NH4]+ 692.58232 275.2
[M+K]+ 713.51166 275.4
[M-H]- 673.54122 258.4
[M+Na-2H]- 695.52317 272.4
[M]+ 674.54795 271.0
[M]- 674.54905 271.0
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.