CID 5361797

7-hydroxy-3-methyl-8-(piperidinomethyl)flavone hydrochloride

Structural Information

Molecular Formula
C22H23NO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCCC3)O)C4=CC=CC=C4
InChI
InChI=1S/C22H23NO3/c1-15-20(25)17-10-11-19(24)18(14-23-12-6-3-7-13-23)22(17)26-21(15)16-8-4-2-5-9-16/h2,4-5,8-11,24H,3,6-7,12-14H2,1H3
InChIKey
IHHBUCDIXRGHCC-UHFFFAOYSA-N
Compound name
7-hydroxy-3-methyl-2-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1678 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17508 184.9
[M+Na]+ 372.15702 191.8
[M-H]- 348.16052 193.0
[M+NH4]+ 367.20162 195.2
[M+K]+ 388.13096 186.8
[M+H-H2O]+ 332.16506 174.3
[M+HCOO]- 394.16600 199.9
[M+CH3COO]- 408.18165 194.3
[M+Na-2H]- 370.14247 187.4
[M]+ 349.16725 183.0
[M]- 349.16835 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.