CID 383961

99010-64-7

Structural Information

Molecular Formula

C₁₄H₁₄ClN₃

SMILES

CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C14H14ClN3/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

InChIKey

RRCWSLBKLVBFQD-UHFFFAOYSA-N

Compound name

4-chloro-1-(2-methylpropyl)imidazo[4,5-c]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4614
Patents: 259.08762 Da
Monoisotopic Mass: 3.9
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]+	260.09490	158.2
[M+Na]+	282.07684	170.5
[M-H]-	258.08034	160.1
[M+NH4]+	277.12144	176.3
[M+K]+	298.05078	164.0
[M+H-H2O]+	242.08488	150.0
[M+HCOO]-	304.08582	173.2
[M+CH3COO]-	318.10147	170.6
[M+Na-2H]-	280.06229	163.9
[M]+	259.08707	163.6
[M]-	259.08817	163.6

Literature stripe

literature stripe

Patent stripe

patents stripe