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]+ 317.18596 177.4
[M+Na]+ 339.16790 186.3
[M-H]- 315.17140 183.0
[M+NH4]+ 334.21250 189.5
[M+K]+ 355.14184 183.1
[M+H-H2O]+ 299.17594 167.7
[M+HCOO]- 361.17688 192.8
[M+CH3COO]- 375.19253 210.9
[M+Na-2H]- 337.15335 179.5
[M]+ 316.17813 179.8
[M]- 316.17923 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.