CID 13897303

58332-16-4

Structural Information

Molecular Formula

C₁₆H₁₁NO₃

SMILES

CC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C16H11NO3/c1-8(18)9-6-7-12-13(14(9)17)16(20)11-5-3-2-4-10(11)15(12)19/h2-7H,17H2,1H3

InChIKey

HPDVKZCKPOFXQA-UHFFFAOYSA-N

Compound name

2-acetyl-1-aminoanthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 265.07388 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]+	266.081156	155.9
[M+Na]+	288.063098	166.0
[M-H]-	264.066604	161.7
[M+NH4]+	283.107703	174.4
[M+K]+	304.037038	161.5
[M+H-H2O]+	248.071140	149.3
[M+HCOO]-	310.072081	176.7
[M+CH3COO]-	324.087731	203.1
[M+Na-2H]-	286.048546	160.6
[M]+	265.07333142	156.2
[M]-	265.07442858	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe