CID 79526

3,4-dibenzyloxybenzaldehyde

Structural Information

Molecular Formula
C21H18O3
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)OCC3=CC=CC=C3
InChI
InChI=1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKey
XDDLXZHBWVFPRG-UHFFFAOYSA-N
Compound name
3,4-bis(phenylmethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

620
Patents

318.12558 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.13286 176.4
[M+Na]+ 341.11480 193.3
[M+NH4]+ 336.15940 185.1
[M+K]+ 357.08874 183.1
[M-H]- 317.11830 183.6
[M+Na-2H]- 339.10025 188.5
[M]+ 318.12503 181.1
[M]- 318.12613 181.1
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