CID 5746050

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

Structural Information

Molecular Formula
C17H23NO3
SMILES
CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN(CC)CC)C
InChI
InChI=1S/C17H23NO3/c1-5-15-11(4)16(20)12-8-9-14(19)13(17(12)21-15)10-18(6-2)7-3/h8-9,19H,5-7,10H2,1-4H3
InChIKey
BGTOXOYNKGWFAY-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-2-ethyl-7-hydroxy-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 168.1
[M+Na]+ 312.15702 181.7
[M+NH4]+ 307.20162 175.6
[M+K]+ 328.13096 175.1
[M-H]- 288.16052 172.3
[M+Na-2H]- 310.14247 172.5
[M]+ 289.16725 171.3
[M]- 289.16835 171.3
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.