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 164.4
[M+Na]+ 304.13079 173.9
[M-H]- 280.13429 172.2
[M+NH4]+ 299.17539 181.8
[M+K]+ 320.10473 171.2
[M+H-H2O]+ 264.13883 156.3
[M+HCOO]- 326.13977 188.0
[M+CH3COO]- 340.15542 208.4
[M+Na-2H]- 302.11624 173.1
[M]+ 281.14102 170.6
[M]- 281.14212 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.