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]+ 309.159746 171.5
[M+Na]+ 331.141688 179.7
[M-H]- 307.145194 178.5
[M+NH4]+ 326.186293 184.9
[M+K]+ 347.115628 174.6
[M+H-H2O]+ 291.149730 161.6
[M+HCOO]- 353.150671 189.2
[M+CH3COO]- 367.166321 182.2
[M+Na-2H]- 329.127136 178.0
[M]+ 308.15192142 169.8
[M]- 308.15301858 169.8
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.