CID 54376

Mb432

Structural Information

Molecular Formula

C₁₇H₁₂N₂O

SMILES

CNC1=C2C(=NC3=CC=CC=C31)C4=CC=CC=C4C2=O

InChI

InChI=1S/C17H12N2O/c1-18-15-12-8-4-5-9-13(12)19-16-10-6-2-3-7-11(10)17(20)14(15)16/h2-9H,1H3,(H,18,19)

InChIKey

MMYNRQOJUUOJCQ-UHFFFAOYSA-N

Compound name

10-(methylamino)indeno[1,2-b]quinolin-11-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4
Patents: 260.09497 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]+	261.10225	156.5
[M+Na]+	283.08419	167.5
[M-H]-	259.08769	162.4
[M+NH4]+	278.12879	177.0
[M+K]+	299.05813	161.3
[M+H-H2O]+	243.09223	149.0
[M+HCOO]-	305.09317	178.6
[M+CH3COO]-	319.10882	169.6
[M+Na-2H]-	281.06964	164.4
[M]+	260.09442	158.3
[M]-	260.09552	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe