CID 3053452

Brn 0812900

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC1=CC2=C(C=C1)OC(=C(C2=O)N3CCN(CC3)C)C
InChI
InChI=1S/C16H20N2O2/c1-11-4-5-14-13(10-11)16(19)15(12(2)20-14)18-8-6-17(3)7-9-18/h4-5,10H,6-9H2,1-3H3
InChIKey
RDPATHZAMGJSMC-UHFFFAOYSA-N
Compound name
2,6-dimethyl-3-(4-methylpiperazin-1-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 164.0
[M+Na]+ 295.14169 179.7
[M+NH4]+ 290.18629 172.3
[M+K]+ 311.11563 172.2
[M-H]- 271.14519 169.4
[M+Na-2H]- 293.12714 170.3
[M]+ 272.15192 167.9
[M]- 272.15302 167.9
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.