CID 135881485

Bzo-chmoxizid

Structural Information

Molecular Formula

C₂₂H₂₃N₃O₂

SMILES

C1CCC(CC1)CN2C3=CC=CC=C3C(=C2O)N=NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2/c26-21(17-11-5-2-6-12-17)24-23-20-18-13-7-8-14-19(18)25(22(20)27)15-16-9-3-1-4-10-16/h2,5-8,11-14,16,27H,1,3-4,9-10,15H2

InChIKey

UTCMVXRMYYFCMH-UHFFFAOYSA-N

Compound name

N-[1-(cyclohexylmethyl)-2-hydroxyindol-3-yl]iminobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 361.17902 Da
Monoisotopic Mass: 5.9
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]+	362.186296	184.9
[M+Na]+	384.168238	189.9
[M-H]-	360.171744	194.9
[M+NH4]+	379.212843	198.2
[M+K]+	400.142178	184.7
[M+H-H2O]+	344.176280	174.3
[M+HCOO]-	406.177221	207.4
[M+CH3COO]-	420.192871	194.8
[M+Na-2H]-	382.153686	187.6
[M]+	361.17847142	183.4
[M]-	361.17956858	183.4

Literature stripe

literature stripe

Patent stripe

patents stripe