CID 28914

3-(morpholinocarbonyl)coumarin

Structural Information

Molecular Formula
C14H13NO4
SMILES
C1COCCN1C(=O)C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C14H13NO4/c16-13(15-5-7-18-8-6-15)11-9-10-3-1-2-4-12(10)19-14(11)17/h1-4,9H,5-8H2
InChIKey
SLSKQRHMOPTNAU-UHFFFAOYSA-N
Compound name
3-(morpholine-4-carbonyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

259.08447 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 154.9
[M+Na]+ 282.07369 162.1
[M-H]- 258.07719 162.1
[M+NH4]+ 277.11829 168.1
[M+K]+ 298.04763 161.5
[M+H-H2O]+ 242.08173 146.4
[M+HCOO]- 304.08267 171.8
[M+CH3COO]- 318.09832 166.8
[M+Na-2H]- 280.05914 161.9
[M]+ 259.08392 154.6
[M]- 259.08502 154.6
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.