CID 135512880

Brn 5094047

Structural Information

Molecular Formula

C₁₈H₁₂N₂O₃

SMILES

CC(=O)N1C2=CC=CC=C2C(=C1O)C3=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C18H12N2O3/c1-10(21)20-14-9-5-3-7-12(14)15(18(20)23)16-17(22)11-6-2-4-8-13(11)19-16/h2-9,23H,1H3

InChIKey

IFYDXNWZEWFJOZ-UHFFFAOYSA-N

Compound name

2-(1-acetyl-2-hydroxyindol-3-yl)indol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 304.08478 Da
Monoisotopic Mass: 3.1
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]+	305.09206	169.0
[M+Na]+	327.07400	184.0
[M+NH4]+	322.11860	176.6
[M+K]+	343.04794	181.0
[M-H]-	303.07750	171.8
[M+Na-2H]-	325.05945	175.0
[M]+	304.08423	171.9
[M]-	304.08533	171.9

Literature stripe

literature stripe

Patent stripe

patents stripe