CID 5142459

94871-51-9

Structural Information

Molecular Formula

C₂₁H₁₈N₂

SMILES

CN(C)C1=CC=C(C=C1)C2=NC3=C(C=C2)C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18N2/c1-23(2)17-10-7-16(8-11-17)20-14-12-19-18-6-4-3-5-15(18)9-13-21(19)22-20/h3-14H,1-2H3

InChIKey

REETXQOLVFMTDO-UHFFFAOYSA-N

Compound name

4-benzo[f]quinolin-3-yl-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 298.147 Da
Monoisotopic Mass: 5.3
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]+	299.154276	170.7
[M+Na]+	321.136218	179.9
[M-H]-	297.139724	179.3
[M+NH4]+	316.180823	186.7
[M+K]+	337.110158	173.7
[M+H-H2O]+	281.144260	160.4
[M+HCOO]-	343.145201	193.4
[M+CH3COO]-	357.160851	182.6
[M+Na-2H]-	319.121666	179.5
[M]+	298.14645142	172.8
[M]-	298.14754858	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe