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]+ 273.159746 164.8
[M+Na]+ 295.141688 173.9
[M-H]- 271.145194 170.5
[M+NH4]+ 290.186293 178.6
[M+K]+ 311.115628 170.5
[M+H-H2O]+ 255.149730 155.5
[M+HCOO]- 317.150671 180.8
[M+CH3COO]- 331.166321 176.2
[M+Na-2H]- 293.127136 168.7
[M]+ 272.15192142 164.7
[M]- 272.15301858 164.7
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.