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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 154.2
[M+Na]+ 276.09950 171.3
[M+NH4]+ 271.14410 164.3
[M+K]+ 292.07344 162.8
[M-H]- 252.10300 160.9
[M+Na-2H]- 274.08495 162.9
[M]+ 253.10973 158.9
[M]- 253.11083 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.