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]+ 310.107376 167.9
[M+Na]+ 332.089318 176.4
[M-H]- 308.092824 176.3
[M+NH4]+ 327.133923 180.1
[M+K]+ 348.063258 174.4
[M+H-H2O]+ 292.097360 158.2
[M+HCOO]- 354.098301 184.3
[M+CH3COO]- 368.113951 179.3
[M+Na-2H]- 330.074766 175.7
[M]+ 309.09955142 169.2
[M]- 309.10064858 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.