CID 45792384

Methyl 2-amino-5-phenoxybenzoate

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

COC(=O)C1=C(C=CC(=C1)OC2=CC=CC=C2)N

InChI

InChI=1S/C14H13NO3/c1-17-14(16)12-9-11(7-8-13(12)15)18-10-5-3-2-4-6-10/h2-9H,15H2,1H3

InChIKey

XZBNCQDGQQYUKB-UHFFFAOYSA-N

Compound name

methyl 2-amino-5-phenoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 243.08954 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.096816	153.2
[M+Na]+	266.078758	160.7
[M-H]-	242.082264	159.9
[M+NH4]+	261.123363	170.0
[M+K]+	282.052698	158.1
[M+H-H2O]+	226.086800	145.5
[M+HCOO]-	288.087741	177.9
[M+CH3COO]-	302.103391	194.1
[M+Na-2H]-	264.064206	158.0
[M]+	243.08899142	154.2
[M]-	243.09008858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe