CID 206220

Xanthen-9-one, 3-amino-4-piperidinomethyl-

Structural Information

Molecular Formula
C19H20N2O2
SMILES
C1CCN(CC1)CC2=C(C=CC3=C2OC4=CC=CC=C4C3=O)N
InChI
InChI=1S/C19H20N2O2/c20-16-9-8-14-18(22)13-6-2-3-7-17(13)23-19(14)15(16)12-21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-12,20H2
InChIKey
INNOZJBWIIHKOS-UHFFFAOYSA-N
Compound name
3-amino-4-(piperidin-1-ylmethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 172.0
[M+Na]+ 331.14169 188.3
[M+NH4]+ 326.18629 181.3
[M+K]+ 347.11563 179.4
[M-H]- 307.14519 179.6
[M+Na-2H]- 329.12714 179.7
[M]+ 308.15192 176.7
[M]- 308.15302 176.7
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.