CID 27443

Flavamine

Structural Information

Molecular Formula
C21H23NO2
SMILES
CCN(CC)CC1=CC2=C(C=C1)OC(=C(C2=O)C)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO2/c1-4-22(5-2)14-16-11-12-19-18(13-16)20(23)15(3)21(24-19)17-9-7-6-8-10-17/h6-13H,4-5,14H2,1-3H3
InChIKey
LJVZNDLLRXZPNO-UHFFFAOYSA-N
Compound name
6-(diethylaminomethyl)-3-methyl-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

321.17288 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.18016 177.3
[M+Na]+ 344.16210 193.8
[M+NH4]+ 339.20670 186.4
[M+K]+ 360.13604 184.6
[M-H]- 320.16560 185.4
[M+Na-2H]- 342.14755 186.2
[M]+ 321.17233 182.3
[M]- 321.17343 182.3
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

patents stripe