CID 157365

M.g. 18755

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CC(C1=CC=C(C=C1)N2C=C3C=CC=CC3=N2)C(=O)O

InChI

InChI=1S/C16H14N2O2/c1-11(16(19)20)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)17-18/h2-11H,1H3,(H,19,20)

InChIKey

JARNVIWZIFANFH-UHFFFAOYSA-N

Compound name

2-(4-indazol-2-ylphenyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.10553 Da
Monoisotopic Mass: 3.3
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]+	267.112806	159.9
[M+Na]+	289.094748	168.9
[M-H]-	265.098254	164.3
[M+NH4]+	284.139353	175.6
[M+K]+	305.068688	164.1
[M+H-H2O]+	249.102790	151.5
[M+HCOO]-	311.103731	180.0
[M+CH3COO]-	325.119381	171.8
[M+Na-2H]-	287.080196	164.0
[M]+	266.10498142	161.5
[M]-	266.10607858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.