CID 162415

40530-60-7

Structural Information

Molecular Formula

C₁₉H₁₇NO₇

SMILES

CCOC(=O)OCCOC1=C(C2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C19H17NO7/c1-2-25-19(24)27-8-7-26-13-9-12(21)14-15(16(13)20)18(23)11-6-4-3-5-10(11)17(14)22/h3-6,9,21H,2,7-8,20H2,1H3

InChIKey

GLVDLLVMSDGVDA-UHFFFAOYSA-N

Compound name

2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyethyl ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 371.1005 Da
Monoisotopic Mass: 3.6
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]+	372.107776	181.0
[M+Na]+	394.089718	189.2
[M-H]-	370.093224	184.9
[M+NH4]+	389.134323	194.2
[M+K]+	410.063658	186.6
[M+H-H2O]+	354.097760	173.2
[M+HCOO]-	416.098701	199.7
[M+CH3COO]-	430.114351	219.2
[M+Na-2H]-	392.075166	183.7
[M]+	371.09995142	186.5
[M]-	371.10104858	186.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe