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 193.2
[M+Na]+ 402.16756 200.1
[M-H]- 378.17106 202.7
[M+NH4]+ 397.21216 205.1
[M+K]+ 418.14150 198.0
[M+H-H2O]+ 362.17560 183.4
[M+HCOO]- 424.17654 214.8
[M+CH3COO]- 438.19219 226.7
[M+Na-2H]- 400.15301 195.8
[M]+ 379.17779 200.2
[M]- 379.17889 200.2
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.