CID 43837

5-pentoxy-3-biphenylacetic acid

Structural Information

Molecular Formula
C19H22O3
SMILES
CCCCCOC1=CC(=CC(=C1)C2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C19H22O3/c1-2-3-7-10-22-18-12-15(13-19(20)21)11-17(14-18)16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,2-3,7,10,13H2,1H3,(H,20,21)
InChIKey
JNVPAMIKBRLTNU-UHFFFAOYSA-N
Compound name
2-(3-pentoxy-5-phenylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.1569 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16418 171.7
[M+Na]+ 321.14612 177.4
[M-H]- 297.14962 176.6
[M+NH4]+ 316.19072 186.0
[M+K]+ 337.12006 173.1
[M+H-H2O]+ 281.15416 163.6
[M+HCOO]- 343.15510 192.7
[M+CH3COO]- 357.17075 202.8
[M+Na-2H]- 319.13157 173.9
[M]+ 298.15635 174.4
[M]- 298.15745 174.4
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.