CID 5901494

6-chloro-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula
C23H24ClNO3
SMILES
CCC1CCCCN1CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)C4=CC=CC=C4
InChI
InChI=1S/C23H24ClNO3/c1-2-16-10-6-7-11-25(16)14-19-22(27)20(24)12-18-17(13-21(26)28-23(18)19)15-8-4-3-5-9-15/h3-5,8-9,12-13,16,27H,2,6-7,10-11,14H2,1H3
InChIKey
DOFZUJJFKJSWGS-UHFFFAOYSA-N
Compound name
6-chloro-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.14447 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15175 196.7
[M+Na]+ 420.13369 204.8
[M-H]- 396.13719 204.8
[M+NH4]+ 415.17829 206.3
[M+K]+ 436.10763 198.4
[M+H-H2O]+ 380.14173 186.6
[M+HCOO]- 442.14267 206.8
[M+CH3COO]- 456.15832 205.6
[M+Na-2H]- 418.11914 197.5
[M]+ 397.14392 198.1
[M]- 397.14502 198.1
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

No patent data available for this compound.