CID 5746048

Chromone, 8-(diethylamino)methyl-2,3-dimethyl-7-hydroxy-, hydrochloride

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCN(CC)CC1=C(C=CC2=C1OC(=C(C2=O)C)C)O
InChI
InChI=1S/C16H21NO3/c1-5-17(6-2)9-13-14(18)8-7-12-15(19)10(3)11(4)20-16(12)13/h7-8,18H,5-6,9H2,1-4H3
InChIKey
HZWOOSYTNVXEBC-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-7-hydroxy-2,3-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 163.5
[M+Na]+ 298.14135 177.3
[M+NH4]+ 293.18595 171.2
[M+K]+ 314.11529 170.9
[M-H]- 274.14485 167.8
[M+Na-2H]- 296.12680 168.2
[M]+ 275.15158 166.8
[M]- 275.15268 166.8
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.