CID 209908

Sas 551

Structural Information

Molecular Formula
C23H22O3
SMILES
CCC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3OC
InChI
InChI=1S/C23H22O3/c1-3-20(23(24)26-22-12-8-7-11-21(22)25-2)19-15-13-18(14-16-19)17-9-5-4-6-10-17/h4-16,20H,3H2,1-2H3
InChIKey
HSCJXYVNGVOWMN-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl) 2-(4-phenylphenyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1569 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.16418 184.6
[M+Na]+ 369.14612 189.8
[M-H]- 345.14962 193.7
[M+NH4]+ 364.19072 196.9
[M+K]+ 385.12006 185.6
[M+H-H2O]+ 329.15416 174.7
[M+HCOO]- 391.15510 205.8
[M+CH3COO]- 405.17075 213.5
[M+Na-2H]- 367.13157 186.3
[M]+ 346.15635 186.9
[M]- 346.15745 186.9
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.