CID 4124653

2,6-dibenzyloxyhydroquinone diacetate

Structural Information

Molecular Formula
C24H22O6
SMILES
CC(=O)OC1=CC(=C(C(=C1)OCC2=CC=CC=C2)OC(=O)C)OCC3=CC=CC=C3
InChI
InChI=1S/C24H22O6/c1-17(25)29-21-13-22(27-15-19-9-5-3-6-10-19)24(30-18(2)26)23(14-21)28-16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKey
CSSMRIUJVDNLGI-UHFFFAOYSA-N
Compound name
[4-acetyloxy-3,5-bis(phenylmethoxy)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.14163 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.14891 196.9
[M+Na]+ 429.13085 202.1
[M-H]- 405.13435 206.2
[M+NH4]+ 424.17545 206.5
[M+K]+ 445.10479 199.6
[M+H-H2O]+ 389.13889 186.1
[M+HCOO]- 451.13983 218.4
[M+CH3COO]- 465.15548 222.5
[M+Na-2H]- 427.11630 197.6
[M]+ 406.14108 203.2
[M]- 406.14218 203.2
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.