CID 12252590

4,4'-ethylenebis(alpha-chloromethyl-1-piperazineethanol) tetrahydrochloride

Structural Information

Molecular Formula
C16H32Cl2N4O2
SMILES
C1CN(CCN1CCN2CCN(CC2)CC(CCl)O)CC(CCl)O
InChI
InChI=1S/C16H32Cl2N4O2/c17-11-15(23)13-21-7-3-19(4-8-21)1-2-20-5-9-22(10-6-20)14-16(24)12-18/h15-16,23-24H,1-14H2
InChIKey
XABNIBFSPQJQQQ-UHFFFAOYSA-N
Compound name
1-chloro-3-[4-[2-[4-(3-chloro-2-hydroxypropyl)piperazin-1-yl]ethyl]piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.19025 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19753 189.0
[M+Na]+ 405.17947 189.7
[M-H]- 381.18297 184.1
[M+NH4]+ 400.22407 194.6
[M+K]+ 421.15341 184.0
[M+H-H2O]+ 365.18751 179.0
[M+HCOO]- 427.18845 184.5
[M+CH3COO]- 441.20410 212.1
[M+Na-2H]- 403.16492 184.6
[M]+ 382.18970 183.9
[M]- 382.19080 183.9
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.