CID 12252592

4,4'-(1,3-trimethylene)bis(alpha-chloromethylpiperazineethanol) tetrahydrochloride

Structural Information

Molecular Formula
C17H34Cl2N4O2
SMILES
C1CN(CCN1CCCN2CCN(CC2)CC(CCl)O)CC(CCl)O
InChI
InChI=1S/C17H34Cl2N4O2/c18-12-16(24)14-22-8-4-20(5-9-22)2-1-3-21-6-10-23(11-7-21)15-17(25)13-19/h16-17,24-25H,1-15H2
InChIKey
INLZIAYUKLCAFS-UHFFFAOYSA-N
Compound name
1-chloro-3-[4-[3-[4-(3-chloro-2-hydroxypropyl)piperazin-1-yl]propyl]piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.20587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.21315 193.0
[M+Na]+ 419.19509 193.3
[M-H]- 395.19859 188.0
[M+NH4]+ 414.23969 198.1
[M+K]+ 435.16903 187.4
[M+H-H2O]+ 379.20313 182.9
[M+HCOO]- 441.20407 188.3
[M+CH3COO]- 455.21972 214.9
[M+Na-2H]- 417.18054 188.2
[M]+ 396.20532 188.3
[M]- 396.20642 188.3
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.