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 164.8
[M+Na]+ 295.14169 173.9
[M-H]- 271.14519 170.5
[M+NH4]+ 290.18629 178.6
[M+K]+ 311.11563 170.5
[M+H-H2O]+ 255.14973 155.5
[M+HCOO]- 317.15067 180.8
[M+CH3COO]- 331.16632 176.2
[M+Na-2H]- 293.12714 168.7
[M]+ 272.15192 164.7
[M]- 272.15302 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.