CID 207211

Xanthen-9-one, 4-piperidinomethyl-, hydrochloride

Structural Information

Molecular Formula
C19H19NO2
SMILES
C1CCN(CC1)CC2=C3C(=CC=C2)C(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C19H19NO2/c21-18-15-8-2-3-10-17(15)22-19-14(7-6-9-16(18)19)13-20-11-4-1-5-12-20/h2-3,6-10H,1,4-5,11-13H2
InChIKey
AYTIYVDGLIFAEO-UHFFFAOYSA-N
Compound name
4-(piperidin-1-ylmethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14157 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.148846 166.6
[M+Na]+ 316.130788 174.7
[M-H]- 292.134294 173.9
[M+NH4]+ 311.175393 181.0
[M+K]+ 332.104728 170.0
[M+H-H2O]+ 276.138830 156.7
[M+HCOO]- 338.139771 184.0
[M+CH3COO]- 352.155421 177.8
[M+Na-2H]- 314.116236 174.2
[M]+ 293.14102142 166.0
[M]- 293.14211858 166.0
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.