CID 5361878

Chromone, 2,3-diethyl-7-hydroxy-8-((methylamino)methyl)-, hydrochloride

Structural Information

Molecular Formula
C15H19NO3
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CNC)O)CC
InChI
InChI=1S/C15H19NO3/c1-4-9-13(5-2)19-15-10(14(9)18)6-7-12(17)11(15)8-16-3/h6-7,16-17H,4-5,8H2,1-3H3
InChIKey
KUEUQKAUKPMYBV-UHFFFAOYSA-N
Compound name
2,3-diethyl-7-hydroxy-8-(methylaminomethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 159.3
[M+Na]+ 284.12572 173.2
[M+NH4]+ 279.17032 167.0
[M+K]+ 300.09966 166.5
[M-H]- 260.12922 163.4
[M+Na-2H]- 282.11117 164.1
[M]+ 261.13595 162.5
[M]- 261.13705 162.5
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.