CID 5345031

3-(4-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)-4h-chromen-4-one

Structural Information

Molecular Formula
C21H20ClNO3
SMILES
C1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C21H20ClNO3/c22-15-6-4-14(5-7-15)18-13-26-21-16(20(18)25)8-9-19(24)17(21)12-23-10-2-1-3-11-23/h4-9,13,24H,1-3,10-12H2
InChIKey
OYTJCTUKYYQNSY-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

369.11316 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12044 187.0
[M+Na]+ 392.10238 195.2
[M-H]- 368.10588 195.1
[M+NH4]+ 387.14698 197.5
[M+K]+ 408.07632 189.0
[M+H-H2O]+ 352.11042 177.1
[M+HCOO]- 414.11136 197.9
[M+CH3COO]- 428.12701 196.5
[M+Na-2H]- 390.08783 189.6
[M]+ 369.11261 187.3
[M]- 369.11371 187.3
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

No patent data available for this compound.