CID 3077036

133306-18-0

Structural Information

Molecular Formula

C₁₆H₁₉N₃O

SMILES

CCCCN1C2=CC=CC(=C2C3=C(C1=O)N=CN3C)C

InChI

InChI=1S/C16H19N3O/c1-4-5-9-19-12-8-6-7-11(2)13(12)15-14(16(19)20)17-10-18(15)3/h6-8,10H,4-5,9H2,1-3H3

InChIKey

BQCZLTYGLKCVAF-UHFFFAOYSA-N

Compound name

5-butyl-1,9-dimethylimidazo[4,5-c]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 269.1528 Da
Monoisotopic Mass: 2.7
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]+	270.16008	163.6
[M+Na]+	292.14202	179.8
[M+NH4]+	287.18662	171.7
[M+K]+	308.11596	173.1
[M-H]-	268.14552	165.4
[M+Na-2H]-	290.12747	169.1
[M]+	269.15225	166.5
[M]-	269.15335	166.5

Literature stripe

literature stripe

Patent stripe

patents stripe