CID 264734

1-benzylisatin

Structural Information

Molecular Formula

C₁₅H₁₁NO₂

SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)C2=O

InChI

InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2

InChIKey

SIISFRLGYDVIRG-UHFFFAOYSA-N

Compound name

1-benzylindole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 338
Patents: 237.07898 Da
Monoisotopic Mass: 2.1
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]+	238.086256	151.1
[M+Na]+	260.068198	160.9
[M-H]-	236.071704	158.0
[M+NH4]+	255.112803	170.4
[M+K]+	276.042138	156.1
[M+H-H2O]+	220.076240	143.6
[M+HCOO]-	282.077181	173.9
[M+CH3COO]-	296.092831	164.5
[M+Na-2H]-	258.053646	155.9
[M]+	237.07843142	151.8
[M]-	237.07952858	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe