CID 3042592

Propane, 1,3-bis(4-(2-chloroethyl)-1-piperazinyl)-, tetrahydrochloride

Structural Information

Molecular Formula
C15H30Cl2N4
SMILES
C1CN(CCN1CCCN2CCN(CC2)CCCl)CCCl
InChI
InChI=1S/C15H30Cl2N4/c16-2-6-20-12-8-18(9-13-20)4-1-5-19-10-14-21(7-3-17)15-11-19/h1-15H2
InChIKey
OYGPCOBVNAKSHY-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-4-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18475 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19203 183.0
[M+Na]+ 359.17397 185.4
[M-H]- 335.17747 180.1
[M+NH4]+ 354.21857 191.8
[M+K]+ 375.14791 179.4
[M+H-H2O]+ 319.18201 171.5
[M+HCOO]- 381.18295 182.8
[M+CH3COO]- 395.19860 208.3
[M+Na-2H]- 357.15942 181.2
[M]+ 336.18420 178.9
[M]- 336.18530 178.9
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.