CID 175909

102585-03-5

Structural Information

Molecular Formula
C20H21NO4
SMILES
CN1CCC(CC1)OC(=O)C2(C3=CC=CC=C3OC4=CC=CC=C42)O
InChI
InChI=1S/C20H21NO4/c1-21-12-10-14(11-13-21)24-19(22)20(23)15-6-2-4-8-17(15)25-18-9-5-3-7-16(18)20/h2-9,14,23H,10-13H2,1H3
InChIKey
XWNYLOBIJMEALR-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 9-hydroxyxanthene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 179.7
[M+Na]+ 362.13628 185.3
[M-H]- 338.13978 185.0
[M+NH4]+ 357.18088 193.0
[M+K]+ 378.11022 182.3
[M+H-H2O]+ 322.14432 169.9
[M+HCOO]- 384.14526 191.6
[M+CH3COO]- 398.16091 188.7
[M+Na-2H]- 360.12173 184.5
[M]+ 339.14651 177.4
[M]- 339.14761 177.4
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.