CID 3068538

Brn 6218156

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O₂

SMILES

CC(C1=CC(=C(C=C1)NC2=CC=CC=N2)Cl)C(=O)O

InChI

InChI=1S/C14H13ClN2O2/c1-9(14(18)19)10-5-6-12(11(15)8-10)17-13-4-2-3-7-16-13/h2-9H,1H3,(H,16,17)(H,18,19)

InChIKey

HNWBRCVCEQYNAU-UHFFFAOYSA-N

Compound name

2-[3-chloro-4-(pyridin-2-ylamino)phenyl]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 276.06656 Da
Monoisotopic Mass: 3.4
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]+	277.07384	160.9
[M+Na]+	299.05578	174.8
[M+NH4]+	294.10038	168.4
[M+K]+	315.02972	168.0
[M-H]-	275.05928	164.3
[M+Na-2H]-	297.04123	169.1
[M]+	276.06601	164.0
[M]-	276.06711	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe