CID 207149

Xanthen-9-one, 4-(dimethylamino)methyl-

Structural Information

Molecular Formula

C₁₆H₁₅NO₂

SMILES

CN(C)CC1=C2C(=CC=C1)C(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C16H15NO2/c1-17(2)10-11-6-5-8-13-15(18)12-7-3-4-9-14(12)19-16(11)13/h3-9H,10H2,1-2H3

InChIKey

OBVFCLYRXRAJAB-UHFFFAOYSA-N

Compound name

4-[(dimethylamino)methyl]xanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.11028 Da
Monoisotopic Mass: 2.8
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]+	254.117556	154.5
[M+Na]+	276.099498	165.1
[M-H]-	252.103004	162.9
[M+NH4]+	271.144103	173.2
[M+K]+	292.073438	162.8
[M+H-H2O]+	236.107540	146.9
[M+HCOO]-	298.108481	178.9
[M+CH3COO]-	312.124131	168.7
[M+Na-2H]-	274.084946	164.5
[M]+	253.10973142	160.2
[M]-	253.11082858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.