CID 28916

18144-54-2

Structural Information

Molecular Formula
C15H15NO4
SMILES
C1COCCN1C(=O)CC2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C15H15NO4/c17-14(16-5-7-19-8-6-16)10-12-9-11-3-1-2-4-13(11)20-15(12)18/h1-4,9H,5-8,10H2
InChIKey
TWKXOZOQEDDSAN-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-yl-2-oxoethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1001 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10738 159.7
[M+Na]+ 296.08932 166.4
[M-H]- 272.09282 166.6
[M+NH4]+ 291.13392 172.3
[M+K]+ 312.06326 165.6
[M+H-H2O]+ 256.09736 150.9
[M+HCOO]- 318.09830 176.1
[M+CH3COO]- 332.11395 171.1
[M+Na-2H]- 294.07477 166.1
[M]+ 273.09955 159.6
[M]- 273.10065 159.6
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.