CID 2313

Bendazac

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₃

SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(=O)O

InChI

InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)

InChIKey

BYFMCKSPFYVMOU-UHFFFAOYSA-N

Compound name

2-(1-benzylindazol-3-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 70
References: 11742
Patents: 282.10043 Da
Monoisotopic Mass: 3.1
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]+	283.10771	163.5
[M+Na]+	305.08965	177.9
[M+NH4]+	300.13425	170.7
[M+K]+	321.06359	172.8
[M-H]-	281.09315	166.0
[M+Na-2H]-	303.07510	171.3
[M]+	282.09988	166.2
[M]-	282.10098	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe