CID 3008475

2,4-diisopropyl-8-nitro-quinoline

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₂

SMILES

CC(C)C1=CC(=NC2=C1C=CC=C2[N+](=O)[O-])C(C)C

InChI

InChI=1S/C15H18N2O2/c1-9(2)12-8-13(10(3)4)16-15-11(12)6-5-7-14(15)17(18)19/h5-10H,1-4H3

InChIKey

DNMPKCQUXCLKCK-UHFFFAOYSA-N

Compound name

8-nitro-2,4-di(propan-2-yl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 258.13684 Da
Monoisotopic Mass: 4.3
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]+	259.144116	158.6
[M+Na]+	281.126058	165.5
[M-H]-	257.129564	162.0
[M+NH4]+	276.170663	174.7
[M+K]+	297.099998	158.7
[M+H-H2O]+	241.134100	156.0
[M+HCOO]-	303.135041	178.8
[M+CH3COO]-	317.150691	195.9
[M+Na-2H]-	279.111506	163.5
[M]+	258.13629142	158.6
[M]-	258.13738858	158.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.