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]+ 218.117556 146.3
[M+Na]+ 240.099498 155.0
[M-H]- 216.103004 153.3
[M+NH4]+ 235.144103 165.4
[M+K]+ 256.073438 154.1
[M+H-H2O]+ 200.107540 139.5
[M+HCOO]- 262.108481 170.7
[M+CH3COO]- 276.124131 194.7
[M+Na-2H]- 238.084946 154.7
[M]+ 217.10973142 150.5
[M]- 217.11082858 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

literature stripe

Patent stripe

patents stripe