CID 47641

Naftifine

Structural Information

Molecular Formula

C₂₁H₂₁N

SMILES

CN(C/C=C/C1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+

InChIKey

OZGNYLLQHRPOBR-DHZHZOJOSA-N

Compound name

(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 195
References: 24141
Patents: 287.1674 Da
Monoisotopic Mass: 5.1
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]+	288.17468	169.8
[M+Na]+	310.15662	175.3
[M-H]-	286.16012	177.7
[M+NH4]+	305.20122	186.3
[M+K]+	326.13056	169.6
[M+H-H2O]+	270.16466	160.7
[M+HCOO]-	332.16560	193.2
[M+CH3COO]-	346.18125	181.0
[M+Na-2H]-	308.14207	176.0
[M]+	287.16685	169.9
[M]-	287.16795	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe