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 157.8
[M+Na]+ 280.09442 165.2
[M-H]- 256.09792 163.2
[M+NH4]+ 275.13902 173.5
[M+K]+ 296.06836 161.6
[M+H-H2O]+ 240.10246 150.4
[M+HCOO]- 302.10340 180.5
[M+CH3COO]- 316.11905 196.6
[M+Na-2H]- 278.07987 160.8
[M]+ 257.10465 157.8
[M]- 257.10575 157.8
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.