CID 661558

102585-05-7

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]+ 324.159406 175.6
[M+Na]+ 346.141348 180.7
[M-H]- 322.144854 181.9
[M+NH4]+ 341.185953 188.3
[M+K]+ 362.115288 177.4
[M+H-H2O]+ 306.149390 165.5
[M+HCOO]- 368.150331 188.9
[M+CH3COO]- 382.165981 185.0
[M+Na-2H]- 344.126796 179.7
[M]+ 323.15158142 173.2
[M]- 323.15267858 173.2
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.