CID 3049776

Brn 0813725

Structural Information

Molecular Formula
C13H24N4O2
SMILES
CN1CCN(CC1)C(=O)CC(=O)N2CCN(CC2)C
InChI
InChI=1S/C13H24N4O2/c1-14-3-7-16(8-4-14)12(18)11-13(19)17-9-5-15(2)6-10-17/h3-11H2,1-2H3
InChIKey
ZLFRXQYRXLZOLD-UHFFFAOYSA-N
Compound name
1,3-bis(4-methylpiperazin-1-yl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1899 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.19718 168.3
[M+Na]+ 291.17912 171.2
[M-H]- 267.18262 167.6
[M+NH4]+ 286.22372 178.6
[M+K]+ 307.15306 168.9
[M+H-H2O]+ 251.18716 157.8
[M+HCOO]- 313.18810 177.7
[M+CH3COO]- 327.20375 197.6
[M+Na-2H]- 289.16457 166.9
[M]+ 268.18935 161.3
[M]- 268.19045 161.4
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.