CID 49767358

2-(1-acetylindolin-2-yl)naphthalene-1,4-dione

Structural Information

Molecular Formula

C₂₀H₁₅NO₃

SMILES

CC(=O)N1C(CC2=CC=CC=C21)C3=CC(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H15NO3/c1-12(22)21-17-9-5-2-6-13(17)10-18(21)16-11-19(23)14-7-3-4-8-15(14)20(16)24/h2-9,11,18H,10H2,1H3

InChIKey

ZHYPCUOWANIPHI-UHFFFAOYSA-N

Compound name

2-(1-acetyl-2,3-dihydroindol-2-yl)naphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 317.1052 Da
Monoisotopic Mass: 2.4
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]+	318.112476	173.3
[M+Na]+	340.094418	182.6
[M-H]-	316.097924	181.0
[M+NH4]+	335.139023	190.2
[M+K]+	356.068358	176.9
[M+H-H2O]+	300.102460	165.2
[M+HCOO]-	362.103401	191.7
[M+CH3COO]-	376.119051	184.9
[M+Na-2H]-	338.079866	174.7
[M]+	317.10465142	173.7
[M]-	317.10574858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.