CID 71308155

Apica

Structural Information

Molecular Formula

C₂₄H₃₂N₂O

SMILES

CCCCCN1C=C(C2=CC=CC=C21)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H32N2O/c1-2-3-6-9-26-16-21(20-7-4-5-8-22(20)26)23(27)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,25,27)

InChIKey

MDJYHWLDDJBTMX-UHFFFAOYSA-N

Compound name

N-(1-adamantyl)-1-pentylindole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 131
Patents: 364.25146 Da
Monoisotopic Mass: 5.7
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]+	365.25874	184.4
[M+Na]+	387.24068	185.2
[M-H]-	363.24418	181.7
[M+NH4]+	382.28528	204.4
[M+K]+	403.21462	178.8
[M+H-H2O]+	347.24872	174.3
[M+HCOO]-	409.24966	189.8
[M+CH3COO]-	423.26531	190.1
[M+Na-2H]-	385.22613	190.4
[M]+	364.25091	186.1
[M]-	364.25201	186.1

Literature stripe

literature stripe

Patent stripe

patents stripe