CID 172332

Dipropylene glycol bis(phenylstearate)

Structural Information

Molecular Formula
C54H90O5
SMILES
CC(COCC(C)OC(=O)CCCCCCCCCCCCCCCCCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCCC2=CC=CC=C2
InChI
InChI=1S/C54H90O5/c1-49(58-53(55)45-37-27-23-19-15-11-7-3-5-9-13-17-21-25-31-39-51-41-33-29-34-42-51)47-57-48-50(2)59-54(56)46-38-28-24-20-16-12-8-4-6-10-14-18-22-26-32-40-52-43-35-30-36-44-52/h29-30,33-36,41-44,49-50H,3-28,31-32,37-40,45-48H2,1-2H3
InChIKey
PPLXRTHJBXOAMX-UHFFFAOYSA-N
Compound name
1-[2-(18-phenyloctadecanoyloxy)propoxy]propan-2-yl 18-phenyloctadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

818.67883 Da
Monoisotopic Mass

20.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 819.68611 301.3
[M+Na]+ 841.66805 300.5
[M+NH4]+ 836.71265 301.0
[M+K]+ 857.64199 302.5
[M-H]- 817.67155 283.0
[M+Na-2H]- 839.65350 296.3
[M]+ 818.67828 296.9
[M]- 818.67938 296.9
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.