CID 3049518

4h-1-benzopyran-4-one, 2-(diethylamino)-

Structural Information

Molecular Formula
C13H15NO2
SMILES
CCN(CC)C1=CC(=O)C2=CC=CC=C2O1
InChI
InChI=1S/C13H15NO2/c1-3-14(4-2)13-9-11(15)10-7-5-6-8-12(10)16-13/h5-9H,3-4H2,1-2H3
InChIKey
YROQGDCTFDQWPP-UHFFFAOYSA-N
Compound name
2-(diethylamino)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

217.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 146.3
[M+Na]+ 240.09950 155.0
[M-H]- 216.10300 153.3
[M+NH4]+ 235.14410 165.4
[M+K]+ 256.07344 154.1
[M+H-H2O]+ 200.10754 139.5
[M+HCOO]- 262.10848 170.7
[M+CH3COO]- 276.12413 194.7
[M+Na-2H]- 238.08495 154.7
[M]+ 217.10973 150.5
[M]- 217.11083 150.5
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.