CID 210703

Brn 0803844

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CN1CCN(CC1)CCC(=O)C2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C16H24N2O3/c1-17-8-10-18(11-9-17)7-6-15(19)14-5-4-13(20-2)12-16(14)21-3/h4-5,12H,6-11H2,1-3H3
InChIKey
XCPZMONFBJXATP-UHFFFAOYSA-N
Compound name
1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.185956 170.4
[M+Na]+ 315.167898 175.6
[M-H]- 291.171404 173.5
[M+NH4]+ 310.212503 183.0
[M+K]+ 331.141838 173.1
[M+H-H2O]+ 275.175940 160.9
[M+HCOO]- 337.176881 186.9
[M+CH3COO]- 351.192531 204.0
[M+Na-2H]- 313.153346 171.2
[M]+ 292.17813142 171.0
[M]- 292.17922858 171.0
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.