CID 50879

Chromone, 2,3-dimethyl-7-methoxy-8-(4-methyl-1-piperazinyl)methyl-, hydrochloride

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCN(CC3)C)OC)C
InChI
InChI=1S/C18H24N2O3/c1-12-13(2)23-18-14(17(12)21)5-6-16(22-4)15(18)11-20-9-7-19(3)8-10-20/h5-6H,7-11H2,1-4H3
InChIKey
XSNREWNTNMVOLN-UHFFFAOYSA-N
Compound name
7-methoxy-2,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 177.4
[M+Na]+ 339.167898 186.3
[M-H]- 315.171404 183.0
[M+NH4]+ 334.212503 189.5
[M+K]+ 355.141838 183.1
[M+H-H2O]+ 299.175940 167.7
[M+HCOO]- 361.176881 192.8
[M+CH3COO]- 375.192531 210.9
[M+Na-2H]- 337.153346 179.5
[M]+ 316.17813142 179.8
[M]- 316.17922858 179.8
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.