CID 15953972

825649-24-9

Structural Information

Molecular Formula

C₁₈H₁₇NO₃

SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C18H17NO3/c1-3-19(4-2)18(21)12-9-10-14-16(11-12)22-15-8-6-5-7-13(15)17(14)20/h5-11H,3-4H2,1-2H3

InChIKey

GPQQELNDVHJKHP-UHFFFAOYSA-N

Compound name

N,N-diethyl-9-oxoxanthene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 295.12085 Da
Monoisotopic Mass: 3.8
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]+	296.12813	166.6
[M+Na]+	318.11007	176.1
[M-H]-	294.11357	174.6
[M+NH4]+	313.15467	183.3
[M+K]+	334.08401	174.0
[M+H-H2O]+	278.11811	158.6
[M+HCOO]-	340.11905	189.6
[M+CH3COO]-	354.13470	210.1
[M+Na-2H]-	316.09552	174.3
[M]+	295.12030	173.0
[M]-	295.12140	173.0

Literature stripe

literature stripe

Patent stripe

patents stripe