CID 57469

Imiquimod

Structural Information

Molecular Formula

C₁₄H₁₆N₄

SMILES

CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N

InChI

InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)

InChIKey

DOUYETYNHWVLEO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 4235
References: 79330
Patents: 240.1375 Da
Monoisotopic Mass: 2.6
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]+	241.14478	154.4
[M+Na]+	263.12672	168.8
[M+NH4]+	258.17132	162.9
[M+K]+	279.10066	163.3
[M-H]-	239.13022	156.8
[M+Na-2H]-	261.11217	160.6
[M]+	240.13695	157.1
[M]-	240.13805	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe