CID 44150582

1,1'-(1,10-decanediyl)bis(4-(3-bromo-1-oxopropyl)-1-methylpiperazinium) dibromide

Structural Information

Molecular Formula
C26H48Br2N4O2
SMILES
C1CN(CCN1CCCCCCCCCCN2CCN(CC2)CC(=O)CCBr)CC(=O)CCBr
InChI
InChI=1S/C26H48Br2N4O2/c27-11-9-25(33)23-31-19-15-29(16-20-31)13-7-5-3-1-2-4-6-8-14-30-17-21-32(22-18-30)24-26(34)10-12-28/h1-24H2
InChIKey
KBQOCIAQYZXPOI-UHFFFAOYSA-N
Compound name
4-bromo-1-[4-[10-[4-(4-bromo-2-oxobutyl)piperazin-1-yl]decyl]piperazin-1-yl]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.2144 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.22168 213.3
[M+Na]+ 629.20362 214.0
[M-H]- 605.20712 214.3
[M+NH4]+ 624.24822 217.7
[M+K]+ 645.17756 197.1
[M+H-H2O]+ 589.21166 217.3
[M+HCOO]- 651.21260 215.0
[M+CH3COO]- 665.22825 248.6
[M+Na-2H]- 627.18907 209.4
[M]+ 606.21385 245.3
[M]- 606.21495 245.3
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.