CID 71751891

1391051-80-1

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₃

SMILES

C1=CC=NC(=C1)C2=CC=C(C=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C14H12N2O3/c17-13(18)9-16-14(19)11-6-4-10(5-7-11)12-3-1-2-8-15-12/h1-8H,9H2,(H,16,19)(H,17,18)

InChIKey

AGXRTZITFWDMAD-UHFFFAOYSA-N

Compound name

2-[(4-pyridin-2-ylbenzoyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.08478 Da
Monoisotopic Mass: 1.4
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]+	257.092056	156.3
[M+Na]+	279.073998	162.3
[M-H]-	255.077504	160.3
[M+NH4]+	274.118603	170.2
[M+K]+	295.047938	158.9
[M+H-H2O]+	239.082040	147.8
[M+HCOO]-	301.082981	177.9
[M+CH3COO]-	315.098631	193.9
[M+Na-2H]-	277.059446	161.3
[M]+	256.08423142	155.2
[M]-	256.08532858	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.