CID 53373

Brn 5274781

Structural Information

Molecular Formula
C15H15NO3
SMILES
COC1=CC=C(C=C1)C2=CC(=CC(=C2)CC(=O)O)N
InChI
InChI=1S/C15H15NO3/c1-19-14-4-2-11(3-5-14)12-6-10(8-15(17)18)7-13(16)9-12/h2-7,9H,8,16H2,1H3,(H,17,18)
InChIKey
LBCNEMKATYAVOO-UHFFFAOYSA-N
Compound name
2-[3-amino-5-(4-methoxyphenyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.1052 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 158.6
[M+Na]+ 280.09442 171.7
[M+NH4]+ 275.13902 166.0
[M+K]+ 296.06836 165.5
[M-H]- 256.09792 162.5
[M+Na-2H]- 278.07987 166.2
[M]+ 257.10465 161.5
[M]- 257.10575 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.