CID 49670

8-(diethylaminomethyl)-3-ethyl-7-methoxyflavone hydrochloride

Structural Information

Molecular Formula
C23H27NO3
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CN(CC)CC)OC)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO3/c1-5-17-21(25)18-13-14-20(26-4)19(15-24(6-2)7-3)23(18)27-22(17)16-11-9-8-10-12-16/h8-14H,5-7,15H2,1-4H3
InChIKey
OEBBJIFYIFDZEM-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-3-ethyl-7-methoxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.1991 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.206376 191.4
[M+Na]+ 388.188318 199.3
[M-H]- 364.191824 201.1
[M+NH4]+ 383.232923 204.3
[M+K]+ 404.162258 196.5
[M+H-H2O]+ 348.196360 181.7
[M+HCOO]- 410.197301 213.5
[M+CH3COO]- 424.212951 226.3
[M+Na-2H]- 386.173766 194.2
[M]+ 365.19855142 198.7
[M]- 365.19964858 198.7
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.