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]+ 350.175076 184.9
[M+Na]+ 372.157018 191.8
[M-H]- 348.160524 193.0
[M+NH4]+ 367.201623 195.2
[M+K]+ 388.130958 186.8
[M+H-H2O]+ 332.165060 174.3
[M+HCOO]- 394.166001 199.9
[M+CH3COO]- 408.181651 194.3
[M+Na-2H]- 370.142466 187.4
[M]+ 349.16725142 183.0
[M]- 349.16834858 183.0
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.