CID 9971539

162934-73-8

Structural Information

Molecular Formula

C₂₀H₂₁NO

SMILES

CCCCCN1C=CC(=C1)C(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H21NO/c1-2-3-6-13-21-14-12-17(15-21)20(22)19-11-7-9-16-8-4-5-10-18(16)19/h4-5,7-12,14-15H,2-3,6,13H2,1H3

InChIKey

VPBJQDBKZSHCPC-UHFFFAOYSA-N

Compound name

naphthalen-1-yl-(1-pentylpyrrol-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 56
Patents: 291.16232 Da
Monoisotopic Mass: 5.0
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]+	292.169596	170.9
[M+Na]+	314.151538	179.0
[M-H]-	290.155044	177.2
[M+NH4]+	309.196143	187.8
[M+K]+	330.125478	173.1
[M+H-H2O]+	274.159580	162.3
[M+HCOO]-	336.160521	193.3
[M+CH3COO]-	350.176171	182.7
[M+Na-2H]-	312.136986	174.2
[M]+	291.16177142	174.3
[M]-	291.16286858	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe