CID 3803820

750599-00-9

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₃

SMILES

C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CC(=O)O

InChI

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

InChIKey

JHCQBJMAELFRHV-UHFFFAOYSA-N

Compound name

2-[2-(phenoxymethyl)benzimidazol-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.10043 Da
Monoisotopic Mass: 2.6
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]+	283.107706	162.7
[M+Na]+	305.089648	171.7
[M-H]-	281.093154	167.0
[M+NH4]+	300.134253	177.7
[M+K]+	321.063588	167.1
[M+H-H2O]+	265.097690	153.9
[M+HCOO]-	327.098631	184.0
[M+CH3COO]-	341.114281	174.5
[M+Na-2H]-	303.075096	168.0
[M]+	282.09988142	166.2
[M]-	282.10097858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.