CID 205366

17854-58-9

Structural Information

Molecular Formula

C₁₉H₂₁NO₃

SMILES

CCN(CC)CC1=C(C=CC2=C1OC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C19H21NO3/c1-4-20(5-2)12-15-16(22-3)11-10-14-18(21)13-8-6-7-9-17(13)23-19(14)15/h6-11H,4-5,12H2,1-3H3

InChIKey

QOWVCERIRVFDDG-UHFFFAOYSA-N

Compound name

4-(diethylaminomethyl)-3-methoxyxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 311.15213 Da
Monoisotopic Mass: 3.5
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]+	312.159406	172.6
[M+Na]+	334.141348	182.5
[M-H]-	310.144854	180.7
[M+NH4]+	329.185953	189.0
[M+K]+	350.115288	180.2
[M+H-H2O]+	294.149390	164.2
[M+HCOO]-	356.150331	196.0
[M+CH3COO]-	370.165981	214.7
[M+Na-2H]-	332.126796	180.1
[M]+	311.15158142	181.0
[M]-	311.15267858	181.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe