CID 76760

N-anthraquinon-1-ylacetamide

Structural Information

Molecular Formula

C₁₆H₁₁NO₃

SMILES

CC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

InChI

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

InChIKey

WDJHNJSBPXRITJ-UHFFFAOYSA-N

Compound name

N-(9,10-dioxoanthracen-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 127
Patents: 265.07388 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]+	266.081156	155.2
[M+Na]+	288.063098	164.5
[M-H]-	264.066604	161.1
[M+NH4]+	283.107703	173.8
[M+K]+	304.037038	160.2
[M+H-H2O]+	248.071140	148.3
[M+HCOO]-	310.072081	176.7
[M+CH3COO]-	324.087731	201.7
[M+Na-2H]-	286.048546	161.7
[M]+	265.07333142	156.0
[M]-	265.07442858	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe