CID 3071746

9,10-anthracenedione, 1-(3-aminopropoxy)-

Structural Information

Molecular Formula

C₁₇H₁₅NO₃

SMILES

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

InChI

InChI=1S/C17H15NO3/c18-9-4-10-21-14-8-3-7-13-15(14)17(20)12-6-2-1-5-11(12)16(13)19/h1-3,5-8H,4,9-10,18H2

InChIKey

NBWAZIMZWZUAOL-UHFFFAOYSA-N

Compound name

1-(3-aminopropoxy)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 281.1052 Da
Monoisotopic Mass: 2.7
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]+	282.112476	161.7
[M+Na]+	304.094418	170.5
[M-H]-	280.097924	166.7
[M+NH4]+	299.139023	179.4
[M+K]+	320.068358	165.7
[M+H-H2O]+	264.102460	154.3
[M+HCOO]-	326.103401	183.0
[M+CH3COO]-	340.119051	204.6
[M+Na-2H]-	302.079866	167.7
[M]+	281.10465142	163.2
[M]-	281.10574858	163.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.