CID 455460

Piperaz pr-bis deriv.

Structural Information

Molecular Formula
C13H28N4
SMILES
CN1CCN(CC1)CCCN2CCN(CC2)C
InChI
InChI=1S/C13H28N4/c1-14-6-10-16(11-7-14)4-3-5-17-12-8-15(2)9-13-17/h3-13H2,1-2H3
InChIKey
ACSBRIVFKZTIIB-UHFFFAOYSA-N
Compound name
1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

73
Patents

240.2314 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.23868 165.4
[M+Na]+ 263.22062 168.1
[M-H]- 239.22412 164.3
[M+NH4]+ 258.26522 177.0
[M+K]+ 279.19456 165.0
[M+H-H2O]+ 223.22866 154.4
[M+HCOO]- 285.22960 175.8
[M+CH3COO]- 299.24525 194.5
[M+Na-2H]- 261.20607 166.0
[M]+ 240.23085 158.2
[M]- 240.23195 158.2
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

patents stripe