CID 470766

Gw611920x

Structural Information

Molecular Formula

C₁₉H₂₂N₂O

SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C19H22N2O/c22-18(17-8-15-3-1-2-4-16(15)20-17)21-19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14,20H,5-7,9-11H2,(H,21,22)

InChIKey

YGUDSHJNJUBIHP-UHFFFAOYSA-N

Compound name

N-(1-adamantyl)-1H-indole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 294.17322 Da
Monoisotopic Mass: 4.7
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]+	295.18050	160.1
[M+Na]+	317.16244	162.2
[M-H]-	293.16594	157.0
[M+NH4]+	312.20704	182.2
[M+K]+	333.13638	156.1
[M+H-H2O]+	277.17048	151.3
[M+HCOO]-	339.17142	166.2
[M+CH3COO]-	353.18707	167.4
[M+Na-2H]-	315.14789	169.4
[M]+	294.17267	158.8
[M]-	294.17377	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe