CID 15491725

4-aminophenyl 4-aminobenzoate

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N)N

InChI

InChI=1S/C13H12N2O2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H,14-15H2

InChIKey

LOCTYHIHNCOYJZ-UHFFFAOYSA-N

Compound name

(4-aminophenyl) 4-aminobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1593
Patents: 228.08987 Da
Monoisotopic Mass: 2.2
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]+	229.097146	149.8
[M+Na]+	251.079088	157.0
[M-H]-	227.082594	156.1
[M+NH4]+	246.123693	166.6
[M+K]+	267.053028	153.6
[M+H-H2O]+	211.087130	142.2
[M+HCOO]-	273.088071	175.0
[M+CH3COO]-	287.103721	193.5
[M+Na-2H]-	249.064536	154.4
[M]+	228.08932142	147.4
[M]-	228.09041858	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe