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

1
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

patents stripe