CID 33625

Indoramin

Structural Information

Molecular Formula

C₂₂H₂₅N₃O

SMILES

C1CN(CCC1NC(=O)C2=CC=CC=C2)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)

InChIKey

JXZZEXZZKAWDSP-UHFFFAOYSA-N

Compound name

N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 269
References: 8727
Patents: 347.19977 Da
Monoisotopic Mass: 4.1
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]+	348.20705	182.8
[M+Na]+	370.18899	186.8
[M-H]-	346.19249	188.4
[M+NH4]+	365.23359	194.1
[M+K]+	386.16293	179.5
[M+H-H2O]+	330.19703	172.1
[M+HCOO]-	392.19797	199.7
[M+CH3COO]-	406.21362	191.0
[M+Na-2H]-	368.17444	184.9
[M]+	347.19922	178.0
[M]-	347.20032	178.0

Literature stripe

literature stripe

Patent stripe

patents stripe