CID 628556

93713-30-5

Structural Information

Molecular Formula

C₂₂H₂₀N₂

SMILES

CNC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)NC

InChI

InChI=1S/C22H20N2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14,23-24H,1-2H3

InChIKey

PXDKDUXMEHPNCO-UHFFFAOYSA-N

Compound name

N-methyl-1-[2-(methylamino)naphthalen-1-yl]naphthalen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 312.16266 Da
Monoisotopic Mass: 6.0
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]+	313.16994	172.8
[M+Na]+	335.15188	181.6
[M-H]-	311.15538	181.6
[M+NH4]+	330.19648	189.0
[M+K]+	351.12582	174.4
[M+H-H2O]+	295.15992	163.6
[M+HCOO]-	357.16086	197.1
[M+CH3COO]-	371.17651	184.5
[M+Na-2H]-	333.13733	181.8
[M]+	312.16211	173.6
[M]-	312.16321	173.6

Literature stripe

literature stripe

Patent stripe

patents stripe