CID 75480565

3-[3,4-bis(benzyloxy)phenyl]-2-methylprop-2-enoic acid

Structural Information

Molecular Formula
C24H22O4
SMILES
C/C(=C\C1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)/C(=O)O
InChI
InChI=1S/C24H22O4/c1-18(24(25)26)14-21-12-13-22(27-16-19-8-4-2-5-9-19)23(15-21)28-17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,25,26)/b18-14+
InChIKey
QFWHHQMKIBIPNH-NBVRZTHBSA-N
Compound name
(E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1518 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15908 191.6
[M+Na]+ 397.14102 206.1
[M+NH4]+ 392.18562 198.4
[M+K]+ 413.11496 197.8
[M-H]- 373.14452 197.0
[M+Na-2H]- 395.12647 201.1
[M]+ 374.15125 195.3
[M]- 374.15235 195.3
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.