CID 22287983

Tetradecyleicosyl stearate

Structural Information

Molecular Formula
C52H104O2
SMILES
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C52H104O2/c1-4-7-10-13-16-19-22-25-27-28-30-31-34-37-40-43-46-49-51(48-45-42-39-36-33-24-21-18-15-12-9-6-3)54-52(53)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3
InChIKey
OCSUWZNUCVLTNY-UHFFFAOYSA-N
Compound name
tetratriacontan-15-yl octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
Patents

760.80365 Da
Monoisotopic Mass

25.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 761.81093 306.4
[M+Na]+ 783.79287 309.6
[M-H]- 759.79637 282.2
[M+NH4]+ 778.83747 306.1
[M+K]+ 799.76681 317.9
[M+H-H2O]+ 743.80091 304.8
[M+HCOO]- 805.80185 305.3
[M+CH3COO]- 819.81750 302.3
[M+Na-2H]- 781.77832 284.1
[M]+ 760.80310 306.7
[M]- 760.80420 306.7
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

patents stripe