CID 3077033

4h-imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-7-chloro-1-methyl-, hydrochloride (4:3)

Structural Information

Molecular Formula

C₁₅H₁₆ClN₃O

SMILES

CCCCN1C2=C(C=CC(=C2)Cl)C3=C(C1=O)N=CN3C

InChI

InChI=1S/C15H16ClN3O/c1-3-4-7-19-12-8-10(16)5-6-11(12)14-13(15(19)20)17-9-18(14)2/h5-6,8-9H,3-4,7H2,1-2H3

InChIKey

DUDBHKJRMFMDNT-UHFFFAOYSA-N

Compound name

5-butyl-7-chloro-1-methylimidazo[4,5-c]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 289.09818 Da
Monoisotopic Mass: 3.0
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]+	290.105456	166.3
[M+Na]+	312.087398	180.4
[M-H]-	288.090904	168.8
[M+NH4]+	307.132003	183.7
[M+K]+	328.061338	173.2
[M+H-H2O]+	272.095440	158.3
[M+HCOO]-	334.096381	182.2
[M+CH3COO]-	348.112031	178.9
[M+Na-2H]-	310.072846	171.1
[M]+	289.09763142	174.1
[M]-	289.09872858	174.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe