CID 50999

7-methoxy-3-methyl-8-(4-methyl-1-piperazinyl)methylflavone hydrochloride

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCN(CC3)C)OC)C4=CC=CC=C4
InChI
InChI=1S/C23H26N2O3/c1-16-21(26)18-9-10-20(27-3)19(15-25-13-11-24(2)12-14-25)23(18)28-22(16)17-7-5-4-6-8-17/h4-10H,11-15H2,1-3H3
InChIKey
CMNANVGSVVJMKG-UHFFFAOYSA-N
Compound name
7-methoxy-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.19434 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 193.8
[M+Na]+ 401.18356 210.8
[M+NH4]+ 396.22816 201.4
[M+K]+ 417.15750 201.9
[M-H]- 377.18706 201.4
[M+Na-2H]- 399.16901 201.5
[M]+ 378.19379 198.6
[M]- 378.19489 198.6
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.