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]+ 262.143776 159.4
[M+Na]+ 284.125718 169.2
[M-H]- 260.129224 164.2
[M+NH4]+ 279.170323 176.1
[M+K]+ 300.099658 166.4
[M+H-H2O]+ 244.133760 152.9
[M+HCOO]- 306.134701 181.1
[M+CH3COO]- 320.150351 200.8
[M+Na-2H]- 282.111166 164.8
[M]+ 261.13595142 163.9
[M]- 261.13704858 163.9
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.