CID 22733

6299-00-9

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂

SMILES

C1=CC=C2C(=C1)C(C(=O)N2)(CC3=CC=CC=N3)O

InChI

InChI=1S/C14H12N2O2/c17-13-14(18,9-10-5-3-4-8-15-10)11-6-1-2-7-12(11)16-13/h1-8,18H,9H2,(H,16,17)

InChIKey

NGKGBFMNFGPGGV-UHFFFAOYSA-N

Compound name

3-hydroxy-3-(pyridin-2-ylmethyl)-1H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 18
Patents: 240.08987 Da
Monoisotopic Mass: 1.0
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]+	241.09715	154.0
[M+Na]+	263.07909	167.4
[M+NH4]+	258.12369	163.2
[M+K]+	279.05303	160.4
[M-H]-	239.08259	156.3
[M+Na-2H]-	261.06454	162.2
[M]+	240.08932	156.6
[M]-	240.09042	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe