CID 3058943

75852-44-7

Structural Information

Molecular Formula
C17H17NO4
SMILES
CC(=O)NC1=CC(=CC(=C1)C2=CC=C(C=C2)OC)CC(=O)O
InChI
InChI=1S/C17H17NO4/c1-11(19)18-15-8-12(9-17(20)21)7-14(10-15)13-3-5-16(22-2)6-4-13/h3-8,10H,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKey
KYXVPXHHLDZSDH-UHFFFAOYSA-N
Compound name
2-[3-acetamido-5-(4-methoxyphenyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.11575 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 169.4
[M+Na]+ 322.10497 181.5
[M+NH4]+ 317.14957 175.6
[M+K]+ 338.07891 176.0
[M-H]- 298.10847 172.4
[M+Na-2H]- 320.09042 176.0
[M]+ 299.11520 171.8
[M]- 299.11630 171.8
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.