CID 175630

94825-61-3

Structural Information

Molecular Formula
C23H22O4
SMILES
C1=CC=C(C=C1)CC2=C(C=CC(=C2)OCCOCC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C23H22O4/c24-23(25)17-26-13-14-27-21-11-12-22(19-9-5-2-6-10-19)20(16-21)15-18-7-3-1-4-8-18/h1-12,16H,13-15,17H2,(H,24,25)
InChIKey
UABMXRISEZOCOP-UHFFFAOYSA-N
Compound name
2-[2-(3-benzyl-4-phenylphenoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

362.1518 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15908 188.7
[M+Na]+ 385.14102 203.8
[M+NH4]+ 380.18562 196.0
[M+K]+ 401.11496 194.8
[M-H]- 361.14452 194.6
[M+Na-2H]- 383.12647 198.9
[M]+ 362.15125 192.7
[M]- 362.15235 192.7
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.