CID 5476010

Benzyl 3-(3,4-bis(benzyloxy)phenyl)acrylate

Structural Information

Molecular Formula
C30H26O4
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C/C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C30H26O4/c31-30(34-23-27-14-8-3-9-15-27)19-17-24-16-18-28(32-21-25-10-4-1-5-11-25)29(20-24)33-22-26-12-6-2-7-13-26/h1-20H,21-23H2/b19-17+
InChIKey
YIRBVYWXBGXDBH-HTXNQAPBSA-N
Compound name
benzyl (E)-3-[3,4-bis(phenylmethoxy)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.1831 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.19038 214.0
[M+Na]+ 473.17232 217.3
[M-H]- 449.17582 224.8
[M+NH4]+ 468.21692 220.8
[M+K]+ 489.14626 211.0
[M+H-H2O]+ 433.18036 201.1
[M+HCOO]- 495.18130 234.8
[M+CH3COO]- 509.19695 229.8
[M+Na-2H]- 471.15777 215.1
[M]+ 450.18255 216.3
[M]- 450.18365 216.3
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.