CID 20528

9,10-anthracenedione, 1-[(2-hydroxyethyl)amino]-

Structural Information

Molecular Formula

C₁₆H₁₃NO₃

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCO

InChI

InChI=1S/C16H13NO3/c18-9-8-17-13-7-3-6-12-14(13)16(20)11-5-2-1-4-10(11)15(12)19/h1-7,17-18H,8-9H2

InChIKey

DQIHOZJLTDMMSG-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethylamino)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 174
Patents: 267.08954 Da
Monoisotopic Mass: 3.2
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]+	268.09682	156.2
[M+Na]+	290.07876	165.0
[M-H]-	266.08226	160.6
[M+NH4]+	285.12336	174.1
[M+K]+	306.05270	160.0
[M+H-H2O]+	250.08680	149.4
[M+HCOO]-	312.08774	177.1
[M+CH3COO]-	326.10339	199.8
[M+Na-2H]-	288.06421	163.5
[M]+	267.08899	156.6
[M]-	267.09009	156.6

Literature stripe

literature stripe

Patent stripe

patents stripe