CID 2691386

Bzo-poxizid

Structural Information

Molecular Formula

C₂₀H₂₁N₃O₂

SMILES

CCCCCN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2/c1-2-3-9-14-23-17-13-8-7-12-16(17)18(20(23)25)21-22-19(24)15-10-5-4-6-11-15/h4-8,10-13,25H,2-3,9,14H2,1H3

InChIKey

XPLMQEMEOJHAQP-UHFFFAOYSA-N

Compound name

N-(2-hydroxy-1-pentylindol-3-yl)iminobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 335.1634 Da
Monoisotopic Mass: 5.4
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]+	336.170676	180.0
[M+Na]+	358.152618	187.8
[M-H]-	334.156124	188.1
[M+NH4]+	353.197223	195.4
[M+K]+	374.126558	183.0
[M+H-H2O]+	318.160660	170.5
[M+HCOO]-	380.161601	206.3
[M+CH3COO]-	394.177251	217.7
[M+Na-2H]-	356.138066	184.4
[M]+	335.16285142	184.9
[M]-	335.16394858	184.9

Literature stripe

literature stripe

Patent stripe

patents stripe