CID 16206118

94313-81-2

Structural Information

Molecular Formula

C₂₀H₂₁NO₅

SMILES

COCCOCCCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H21NO5/c1-25-11-12-26-10-4-9-21-15-7-8-16(22)18-17(15)19(23)13-5-2-3-6-14(13)20(18)24/h2-3,5-8,21-22H,4,9-12H2,1H3

InChIKey

CGSFGQWGUXHDKE-UHFFFAOYSA-N

Compound name

1-hydroxy-4-[3-(2-methoxyethoxy)propylamino]anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 355.14197 Da
Monoisotopic Mass: 3.7
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]+	356.149246	180.4
[M+Na]+	378.131188	187.7
[M-H]-	354.134694	184.1
[M+NH4]+	373.175793	194.5
[M+K]+	394.105128	183.4
[M+H-H2O]+	338.139230	172.2
[M+HCOO]-	400.140171	199.9
[M+CH3COO]-	414.155821	217.5
[M+Na-2H]-	376.116636	185.0
[M]+	355.14142142	185.3
[M]-	355.14251858	185.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe