CID 12252621

Piperazinium, 1,1'-trimethylenebis(4-(2-chloroethyl)-1-methyl-, dichloride, dihydrochloride

Structural Information

Molecular Formula
C17H36Cl2N4
SMILES
C[N+]1(CCN(CC1)CCCl)CCC[N+]2(CCN(CC2)CCCl)C
InChI
InChI=1S/C17H36Cl2N4/c1-22(14-8-20(6-4-18)9-15-22)12-3-13-23(2)16-10-21(7-5-19)11-17-23/h3-17H2,1-2H3/q+2
InChIKey
YTWLFWUZFUCTBN-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-1-[3-[4-(2-chloroethyl)-1-methylpiperazin-1-ium-1-yl]propyl]-1-methylpiperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.2317 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23898 181.8
[M+Na]+ 389.22092 184.1
[M-H]- 365.22442 179.5
[M+NH4]+ 384.26552 193.0
[M+K]+ 405.19486 168.4
[M+H-H2O]+ 349.22896 176.9
[M+HCOO]- 411.22990 180.6
[M+CH3COO]- 425.24555 201.5
[M+Na-2H]- 387.20637 186.3
[M]+ 366.23115 175.6
[M]- 366.23225 175.6
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.