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]+ 282.14885 163.6
[M+Na]+ 304.13079 180.2
[M+NH4]+ 299.17539 173.3
[M+K]+ 320.10473 171.3
[M-H]- 280.13429 170.2
[M+Na-2H]- 302.11624 171.7
[M]+ 281.14102 168.2
[M]- 281.14212 168.2
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.