CID 383964

Nsc672968

Structural Information

Molecular Formula

C₁₈H₂₄N₄

SMILES

CCCCNC1=NC2=CC=CC=C2C3=C1N=CN3CC(C)C

InChI

InChI=1S/C18H24N4/c1-4-5-10-19-18-16-17(22(12-20-16)11-13(2)3)14-8-6-7-9-15(14)21-18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,19,21)

InChIKey

QNEILFXRUKWDEH-UHFFFAOYSA-N

Compound name

N-butyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 296.2001 Da
Monoisotopic Mass: 4.5
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]+	297.207376	173.8
[M+Na]+	319.189318	182.6
[M-H]-	295.192824	175.4
[M+NH4]+	314.233923	189.2
[M+K]+	335.163258	176.8
[M+H-H2O]+	279.197360	164.4
[M+HCOO]-	341.198301	193.2
[M+CH3COO]-	355.213951	184.3
[M+Na-2H]-	317.174766	178.6
[M]+	296.19955142	177.9
[M]-	296.20064858	177.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe