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]+ 375.159076 191.2
[M+Na]+ 397.141018 195.5
[M-H]- 373.144524 198.7
[M+NH4]+ 392.185623 201.3
[M+K]+ 413.114958 190.4
[M+H-H2O]+ 357.149060 181.1
[M+HCOO]- 419.150001 210.9
[M+CH3COO]- 433.165651 215.4
[M+Na-2H]- 395.126466 191.9
[M]+ 374.15125142 192.6
[M]- 374.15234858 192.6
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.