CID 165361915

Ch-piata

Structural Information

Molecular Formula

C₂₁H₃₀N₂O

SMILES

CCCCCN1C=C(C2=CC=CC=C21)CC(=O)NC3CCCCC3

InChI

InChI=1S/C21H30N2O/c1-2-3-9-14-23-16-17(19-12-7-8-13-20(19)23)15-21(24)22-18-10-5-4-6-11-18/h7-8,12-13,16,18H,2-6,9-11,14-15H2,1H3,(H,22,24)

InChIKey

SYYOOLIGHZEOKJ-UHFFFAOYSA-N

Compound name

N-cyclohexyl-2-(1-pentylindol-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.2358 Da
Monoisotopic Mass: 4.8
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]+	327.243076	182.0
[M+Na]+	349.225018	185.6
[M-H]-	325.228524	186.8
[M+NH4]+	344.269623	196.9
[M+K]+	365.198958	180.1
[M+H-H2O]+	309.233060	172.8
[M+HCOO]-	371.234001	200.7
[M+CH3COO]-	385.249651	212.3
[M+Na-2H]-	347.210466	182.4
[M]+	326.23525142	180.6
[M]-	326.23634858	180.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.