CID 18438746

5-(benzyloxy)indolin-2-one

Structural Information

Molecular Formula

C₁₅H₁₃NO₂

SMILES

C1C2=C(C=CC(=C2)OCC3=CC=CC=C3)NC1=O

InChI

InChI=1S/C15H13NO2/c17-15-9-12-8-13(6-7-14(12)16-15)18-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,16,17)

InChIKey

YQNYTVVGWCZWLL-UHFFFAOYSA-N

Compound name

5-phenylmethoxy-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 239.09464 Da
Monoisotopic Mass: 2.2
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]+	240.101916	152.4
[M+Na]+	262.083858	160.5
[M-H]-	238.087364	157.4
[M+NH4]+	257.128463	170.6
[M+K]+	278.057798	155.5
[M+H-H2O]+	222.091900	144.9
[M+HCOO]-	284.092841	173.5
[M+CH3COO]-	298.108491	164.7
[M+Na-2H]-	260.069306	157.5
[M]+	239.09409142	151.5
[M]-	239.09518858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe