CID 207151

Xanthen-9-one, 4-(diethylamino)methyl-, hydrochloride

Structural Information

Molecular Formula
C18H19NO2
SMILES
CCN(CC)CC1=C2C(=CC=C1)C(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C18H19NO2/c1-3-19(4-2)12-13-8-7-10-15-17(20)14-9-5-6-11-16(14)21-18(13)15/h5-11H,3-4,12H2,1-2H3
InChIKey
QJXSEDQBIHUWIJ-UHFFFAOYSA-N
Compound name
4-(diethylaminomethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.148846 164.4
[M+Na]+ 304.130788 173.9
[M-H]- 280.134294 172.2
[M+NH4]+ 299.175393 181.8
[M+K]+ 320.104728 171.2
[M+H-H2O]+ 264.138830 156.3
[M+HCOO]- 326.139771 188.0
[M+CH3COO]- 340.155421 208.4
[M+Na-2H]- 302.116236 173.1
[M]+ 281.14102142 170.6
[M]- 281.14211858 170.6
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.