CID 60987718

1183393-07-8

Structural Information

Molecular Formula
C15H15NO4
SMILES
CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)O)N
InChI
InChI=1S/C15H15NO4/c1-2-19-11-4-6-12(7-5-11)20-14-8-3-10(15(17)18)9-13(14)16/h3-9H,2,16H2,1H3,(H,17,18)
InChIKey
JDHIYYQPPVAQTP-UHFFFAOYSA-N
Compound name
3-amino-4-(4-ethoxyphenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1001 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10738 160.7
[M+Na]+ 296.08932 167.9
[M-H]- 272.09282 166.0
[M+NH4]+ 291.13392 175.6
[M+K]+ 312.06326 164.9
[M+H-H2O]+ 256.09736 152.9
[M+HCOO]- 318.09830 183.6
[M+CH3COO]- 332.11395 198.8
[M+Na-2H]- 294.07477 163.7
[M]+ 273.09955 162.1
[M]- 273.10065 162.1
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.