CID 18971

Diethylaminoethyl 3-methylflavone-8-carboxylate hydrochloride

Structural Information

Molecular Formula
C23H25NO4
SMILES
CCN(CC)CCOC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3
InChI
InChI=1S/C23H25NO4/c1-4-24(5-2)14-15-27-23(26)19-13-9-12-18-20(25)16(3)21(28-22(18)19)17-10-7-6-8-11-17/h6-13H,4-5,14-15H2,1-3H3
InChIKey
QHRYTBYGNCJPSS-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.17834 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 191.3
[M+Na]+ 402.16756 205.9
[M+NH4]+ 397.21216 198.3
[M+K]+ 418.14150 198.2
[M-H]- 378.17106 197.7
[M+Na-2H]- 400.15301 198.2
[M]+ 379.17779 195.3
[M]- 379.17889 195.3
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.