CID 3002269

2,4-dicyclohexyl-8-nitro quinoline

Structural Information

Molecular Formula

C₂₁H₂₆N₂O₂

SMILES

C1CCC(CC1)C2=CC(=NC3=C2C=CC=C3[N+](=O)[O-])C4CCCCC4

InChI

InChI=1S/C21H26N2O2/c24-23(25)20-13-7-12-17-18(15-8-3-1-4-9-15)14-19(22-21(17)20)16-10-5-2-6-11-16/h7,12-16H,1-6,8-11H2

InChIKey

MXQLDYGMPBTYNW-UHFFFAOYSA-N

Compound name

2,4-dicyclohexyl-8-nitroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 338.19943 Da
Monoisotopic Mass: 6.8
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]+	339.206706	181.6
[M+Na]+	361.188648	182.1
[M-H]-	337.192154	188.2
[M+NH4]+	356.233253	192.4
[M+K]+	377.162588	172.7
[M+H-H2O]+	321.196690	175.0
[M+HCOO]-	383.197631	195.3
[M+CH3COO]-	397.213281	206.7
[M+Na-2H]-	359.174096	184.2
[M]+	338.19888142	170.8
[M]-	338.19997858	170.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.