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]+ 340.154336 179.7
[M+Na]+ 362.136278 185.3
[M-H]- 338.139784 185.0
[M+NH4]+ 357.180883 193.0
[M+K]+ 378.110218 182.3
[M+H-H2O]+ 322.144320 169.9
[M+HCOO]- 384.145261 191.6
[M+CH3COO]- 398.160911 188.7
[M+Na-2H]- 360.121726 184.5
[M]+ 339.14651142 177.4
[M]- 339.14760858 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.