CID 386460

Nsc678489

Structural Information

Molecular Formula

C₂₀H₁₅N

SMILES

CC1=NC2=C(C=CC=C2C3=CC=CC4=CC=CC=C43)C=C1

InChI

InChI=1S/C20H15N/c1-14-12-13-16-8-5-11-19(20(16)21-14)18-10-4-7-15-6-2-3-9-17(15)18/h2-13H,1H3

InChIKey

DKPWNBCMBXMQCN-UHFFFAOYSA-N

Compound name

2-methyl-8-naphthalen-1-ylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 269.12045 Da
Monoisotopic Mass: 5.5
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]+	270.12773	162.5
[M+Na]+	292.10967	173.0
[M-H]-	268.11317	170.0
[M+NH4]+	287.15427	179.4
[M+K]+	308.08361	165.7
[M+H-H2O]+	252.11771	152.9
[M+HCOO]-	314.11865	184.1
[M+CH3COO]-	328.13430	174.9
[M+Na-2H]-	290.09512	172.0
[M]+	269.11990	163.7
[M]-	269.12100	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe