CID 515616

1-methyl-4-[methyl-(4-methylpiperazin-1-yl)phosphoryl]piperazine

Structural Information

Molecular Formula
C11H25N4OP
SMILES
CN1CCN(CC1)P(=O)(C)N2CCN(CC2)C
InChI
InChI=1S/C11H25N4OP/c1-12-4-8-14(9-5-12)17(3,16)15-10-6-13(2)7-11-15/h4-11H2,1-3H3
InChIKey
WAHRINLNMZBGNC-UHFFFAOYSA-N
Compound name
1-methyl-4-[methyl-(4-methylpiperazin-1-yl)phosphoryl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.1766 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18388 168.1
[M+Na]+ 283.16582 171.3
[M-H]- 259.16932 166.3
[M+NH4]+ 278.21042 179.3
[M+K]+ 299.13976 169.2
[M+H-H2O]+ 243.17386 155.7
[M+HCOO]- 305.17480 182.9
[M+CH3COO]- 319.19045 197.2
[M+Na-2H]- 281.15127 166.4
[M]+ 260.17605 161.4
[M]- 260.17715 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

literature stripe

Patent stripe

No patent data available for this compound.