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 187.5
[M+Na]+ 385.14102 192.2
[M-H]- 361.14452 195.1
[M+NH4]+ 380.18562 198.2
[M+K]+ 401.11496 187.3
[M+H-H2O]+ 345.14906 177.4
[M+HCOO]- 407.15000 208.4
[M+CH3COO]- 421.16565 212.9
[M+Na-2H]- 383.12647 190.0
[M]+ 362.15125 189.9
[M]- 362.15235 189.9
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.