CID 15953971

3-(morpholine-4-carbonyl)xanthen-9-one

Structural Information

Molecular Formula
C18H15NO4
SMILES
C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C18H15NO4/c20-17-13-3-1-2-4-15(13)23-16-11-12(5-6-14(16)17)18(21)19-7-9-22-10-8-19/h1-6,11H,7-10H2
InChIKey
JISVANNPTDGNAR-UHFFFAOYSA-N
Compound name
3-(morpholine-4-carbonyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.1001 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 167.9
[M+Na]+ 332.08932 176.4
[M-H]- 308.09282 176.3
[M+NH4]+ 327.13392 180.1
[M+K]+ 348.06326 174.4
[M+H-H2O]+ 292.09736 158.2
[M+HCOO]- 354.09830 184.3
[M+CH3COO]- 368.11395 179.3
[M+Na-2H]- 330.07477 175.7
[M]+ 309.09955 169.2
[M]- 309.10065 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.