CID 54688615

4-hydroxy-3-(morpholinocarbonyl)coumarin

Structural Information

Molecular Formula
C14H13NO5
SMILES
C1COCCN1C(=O)C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C14H13NO5/c16-12-9-3-1-2-4-10(9)20-14(18)11(12)13(17)15-5-7-19-8-6-15/h1-4,16H,5-8H2
InChIKey
SVTFTKLBKRZADH-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(morpholine-4-carbonyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.07938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08666 158.4
[M+Na]+ 298.06860 165.9
[M-H]- 274.07210 164.7
[M+NH4]+ 293.11320 170.5
[M+K]+ 314.04254 165.2
[M+H-H2O]+ 258.07664 150.1
[M+HCOO]- 320.07758 173.9
[M+CH3COO]- 334.09323 194.5
[M+Na-2H]- 296.05405 164.4
[M]+ 275.07883 158.2
[M]- 275.07993 158.2
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.