CID 3041898

58741-70-1

Structural Information

Molecular Formula
C21H23NO4
SMILES
CC(C)OC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3O2)CN4CCOCC4
InChI
InChI=1S/C21H23NO4/c1-14(2)25-19-8-7-16-20(23)15-5-3-4-6-18(15)26-21(16)17(19)13-22-9-11-24-12-10-22/h3-8,14H,9-13H2,1-2H3
InChIKey
JYQAPSQLSNZDPL-UHFFFAOYSA-N
Compound name
4-(morpholin-4-ylmethyl)-3-propan-2-yloxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16272 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 182.7
[M+Na]+ 376.15194 199.1
[M+NH4]+ 371.19654 190.9
[M+K]+ 392.12588 191.3
[M-H]- 352.15544 190.3
[M+Na-2H]- 374.13739 188.8
[M]+ 353.16217 187.4
[M]- 353.16327 187.4
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.