CID 49744

8-(diethylamino)methyl-7-hydroxyflavone hydrochloride

Structural Information

Molecular Formula
C20H21NO3
SMILES
CCN(CC)CC1=C(C=CC2=C1OC(=CC2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C20H21NO3/c1-3-21(4-2)13-16-17(22)11-10-15-18(23)12-19(24-20(15)16)14-8-6-5-7-9-14/h5-12,22H,3-4,13H2,1-2H3
InChIKey
VNCXZJLKKUPKCP-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-7-hydroxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 177.1
[M+Na]+ 346.14135 185.1
[M-H]- 322.14485 185.7
[M+NH4]+ 341.18595 190.9
[M+K]+ 362.11529 182.1
[M+H-H2O]+ 306.14939 168.3
[M+HCOO]- 368.15033 198.9
[M+CH3COO]- 382.16598 213.8
[M+Na-2H]- 344.12680 182.0
[M]+ 323.15158 181.4
[M]- 323.15268 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.