CID 122561

32154-05-5

Structural Information

Molecular Formula
C43H68O6
SMILES
CCCCCCCCCCCC(=O)OCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C43H68O6/c1-5-7-9-11-13-15-17-19-21-23-41(44)48-35-33-46-39-29-25-37(26-30-39)43(3,4)38-27-31-40(32-28-38)47-34-36-49-42(45)24-22-20-18-16-14-12-10-8-6-2/h25-32H,5-24,33-36H2,1-4H3
InChIKey
DPZRLVKUOYEOLE-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-(2-dodecanoyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

680.5016 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.50888 281.5
[M+Na]+ 703.49082 266.2
[M+NH4]+ 698.53542 266.1
[M+K]+ 719.46476 265.1
[M-H]- 679.49432 250.9
[M+Na-2H]- 701.47627 281.7
[M]+ 680.50105 262.5
[M]- 680.50215 262.5
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.