CID 661558

Xanthene-9-carboxylic acid, 1-methyl-4-piperidinyl ester

Structural Information

Molecular Formula
C20H21NO3
SMILES
CN1CCC(CC1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24
InChI
InChI=1S/C20H21NO3/c1-21-12-10-14(11-13-21)23-20(22)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3
InChIKey
SCPZJYUBCGVFCS-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 176.5
[M+Na]+ 346.14135 191.0
[M+NH4]+ 341.18595 185.5
[M+K]+ 362.11529 183.0
[M-H]- 322.14485 182.8
[M+Na-2H]- 344.12680 182.4
[M]+ 323.15158 180.4
[M]- 323.15268 180.4
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.