CID 12252594

4,4'-(1,6-hexamethylene)bis(alpha-chloromethyl-1-piperazineethanol) tetrahydrochloride

Structural Information

Molecular Formula
C20H40Cl2N4O2
SMILES
C1CN(CCN1CCCCCCN2CCN(CC2)CC(CCl)O)CC(CCl)O
InChI
InChI=1S/C20H40Cl2N4O2/c21-15-19(27)17-25-11-7-23(8-12-25)5-3-1-2-4-6-24-9-13-26(14-10-24)18-20(28)16-22/h19-20,27-28H,1-18H2
InChIKey
BPZKNKCJYVIWGJ-UHFFFAOYSA-N
Compound name
1-chloro-3-[4-[6-[4-(3-chloro-2-hydroxypropyl)piperazin-1-yl]hexyl]piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.25284 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.26012 205.1
[M+Na]+ 461.24206 204.1
[M-H]- 437.24556 199.5
[M+NH4]+ 456.28666 208.5
[M+K]+ 477.21600 197.6
[M+H-H2O]+ 421.25010 194.4
[M+HCOO]- 483.25104 199.4
[M+CH3COO]- 497.26669 223.4
[M+Na-2H]- 459.22751 198.9
[M]+ 438.25229 201.4
[M]- 438.25339 201.4
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.