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 168.3
[M+Na]+ 322.10497 174.7
[M-H]- 298.10847 173.9
[M+NH4]+ 317.14957 182.3
[M+K]+ 338.07891 171.6
[M+H-H2O]+ 282.11301 160.4
[M+HCOO]- 344.11395 190.3
[M+CH3COO]- 358.12960 204.9
[M+Na-2H]- 320.09042 170.2
[M]+ 299.11520 170.0
[M]- 299.11630 170.0
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.