CID 3070430

2-hydroxy-3-(n-piperidino)propyl 3-methylflavone-8-carboxylate hydrochloride

Structural Information

Molecular Formula
C25H27NO5
SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCC(CN3CCCCC3)O)C4=CC=CC=C4
InChI
InChI=1S/C25H27NO5/c1-17-22(28)20-11-8-12-21(24(20)31-23(17)18-9-4-2-5-10-18)25(29)30-16-19(27)15-26-13-6-3-7-14-26/h2,4-5,8-12,19,27H,3,6-7,13-16H2,1H3
InChIKey
JATMDXFNBJJFFF-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-piperidin-1-ylpropyl) 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

421.18893 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.19621 201.4
[M+Na]+ 444.17815 215.2
[M+NH4]+ 439.22275 207.5
[M+K]+ 460.15209 208.3
[M-H]- 420.18165 207.5
[M+Na-2H]- 442.16360 207.5
[M]+ 421.18838 205.1
[M]- 421.18948 205.1
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

patents stripe