CID 5361787

8-(dimethylaminomethyl)-3-ethyl-7-hydroxyflavone hydrochloride

Structural Information

Molecular Formula
C20H21NO3
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)O)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO3/c1-4-14-18(23)15-10-11-17(22)16(12-21(2)3)20(15)24-19(14)13-8-6-5-7-9-13/h5-11,22H,4,12H2,1-3H3
InChIKey
ISDRIDZZPLCBOZ-UHFFFAOYSA-N
Compound name
8-[(dimethylamino)methyl]-3-ethyl-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

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 177.2
[M+Na]+ 346.14135 186.2
[M-H]- 322.14485 186.3
[M+NH4]+ 341.18595 191.3
[M+K]+ 362.11529 183.2
[M+H-H2O]+ 306.14939 168.6
[M+HCOO]- 368.15033 199.0
[M+CH3COO]- 382.16598 215.1
[M+Na-2H]- 344.12680 181.5
[M]+ 323.15158 181.9
[M]- 323.15268 181.9
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.