CID 109632

2-phenoxyethyl phenylstearate

Structural Information

Molecular Formula
C32H48O3
SMILES
C1=CC=C(C=C1)CCCCCCCCCCCCCCCCCC(=O)OCCOC2=CC=CC=C2
InChI
InChI=1S/C32H48O3/c33-32(35-29-28-34-31-25-19-15-20-26-31)27-21-13-11-9-7-5-3-1-2-4-6-8-10-12-16-22-30-23-17-14-18-24-30/h14-15,17-20,23-26H,1-13,16,21-22,27-29H2
InChIKey
FZJGVNUYIJBUJK-UHFFFAOYSA-N
Compound name
2-phenoxyethyl 18-phenyloctadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

480.36035 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.36763 230.8
[M+Na]+ 503.34957 229.1
[M-H]- 479.35307 233.2
[M+NH4]+ 498.39417 237.4
[M+K]+ 519.32351 222.5
[M+H-H2O]+ 463.35761 219.0
[M+HCOO]- 525.35855 248.5
[M+CH3COO]- 539.37420 240.2
[M+Na-2H]- 501.33502 227.5
[M]+ 480.35980 238.6
[M]- 480.36090 238.6
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.