CID 78652

2',4'-di(benzyloxy)-2-methoxyacetophenone

Structural Information

Molecular Formula
C23H22O4
SMILES
COCC(=O)C1=C(C=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C23H22O4/c1-25-17-22(24)21-13-12-20(26-15-18-8-4-2-5-9-18)14-23(21)27-16-19-10-6-3-7-11-19/h2-14H,15-17H2,1H3
InChIKey
CXEWRLLTJYRWCL-UHFFFAOYSA-N
Compound name
1-[2,4-bis(phenylmethoxy)phenyl]-2-methoxyethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

362.1518 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15908 187.7
[M+Na]+ 385.14102 192.9
[M-H]- 361.14452 196.7
[M+NH4]+ 380.18562 199.1
[M+K]+ 401.11496 188.8
[M+H-H2O]+ 345.14906 177.2
[M+HCOO]- 407.15000 210.0
[M+CH3COO]- 421.16565 215.3
[M+Na-2H]- 383.12647 190.5
[M]+ 362.15125 191.9
[M]- 362.15235 191.9
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.