CID 5361809

7-hydroxy-2-methyl-8-(piperidinomethyl)isoflavone hydrochloride

Structural Information

Molecular Formula
C22H23NO3
SMILES
CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H23NO3/c1-15-20(16-8-4-2-5-9-16)21(25)17-10-11-19(24)18(22(17)26-15)14-23-12-6-3-7-13-23/h2,4-5,8-11,24H,3,6-7,12-14H2,1H3
InChIKey
CNZJZAABODREQK-UHFFFAOYSA-N
Compound name
7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

349.1678 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17508 184.7
[M+Na]+ 372.15702 201.3
[M+NH4]+ 367.20162 193.0
[M+K]+ 388.13096 192.4
[M-H]- 348.16052 192.6
[M+Na-2H]- 370.14247 192.9
[M]+ 349.16725 189.5
[M]- 349.16835 189.5
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.