CID 274320

Ethyl 2-benzoyloctadecanoate

Structural Information

Molecular Formula
C27H44O3
SMILES
CCCCCCCCCCCCCCCCC(C(=O)C1=CC=CC=C1)C(=O)OCC
InChI
InChI=1S/C27H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25(27(29)30-4-2)26(28)24-21-18-17-19-22-24/h17-19,21-22,25H,3-16,20,23H2,1-2H3
InChIKey
YZNVOVMEJIKNMV-UHFFFAOYSA-N
Compound name
ethyl 2-benzoyloctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.32904 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.33632 212.0
[M+Na]+ 439.31826 219.8
[M+NH4]+ 434.36286 216.5
[M+K]+ 455.29220 211.4
[M-H]- 415.32176 212.0
[M+Na-2H]- 437.30371 213.3
[M]+ 416.32849 212.8
[M]- 416.32959 212.8
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.