CID 206096

Xanthen-9-one, 4-methoxy-3-piperidinomethyl-, hydrochloride

Structural Information

Molecular Formula
C20H21NO3
SMILES
COC1=C(C=CC2=C1OC3=CC=CC=C3C2=O)CN4CCCCC4
InChI
InChI=1S/C20H21NO3/c1-23-19-14(13-21-11-5-2-6-12-21)9-10-16-18(22)15-7-3-4-8-17(15)24-20(16)19/h3-4,7-10H,2,5-6,11-13H2,1H3
InChIKey
LVCUBRBLCGUKBN-UHFFFAOYSA-N
Compound name
4-methoxy-3-(piperidin-1-ylmethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 175.1
[M+Na]+ 346.14135 183.4
[M-H]- 322.14485 182.5
[M+NH4]+ 341.18595 188.4
[M+K]+ 362.11529 179.3
[M+H-H2O]+ 306.14939 164.9
[M+HCOO]- 368.15033 192.2
[M+CH3COO]- 382.16598 185.9
[M+Na-2H]- 344.12680 181.4
[M]+ 323.15158 176.6
[M]- 323.15268 176.6
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.