CID 44152787

1,1'-(1,2-ethanediyl)bis(4-(3-bromo-1-oxopropyl)-1-methylpiperazinium) dichloride

Structural Information

Molecular Formula
C18H32Br2N4O2
SMILES
C1CN(CCN1CCN2CCN(CC2)CC(=O)CCBr)CC(=O)CCBr
InChI
InChI=1S/C18H32Br2N4O2/c19-3-1-17(25)15-23-11-7-21(8-12-23)5-6-22-9-13-24(14-10-22)16-18(26)2-4-20/h1-16H2
InChIKey
KLBVHMPCSWFQSS-UHFFFAOYSA-N
Compound name
4-bromo-1-[4-[2-[4-(4-bromo-2-oxobutyl)piperazin-1-yl]ethyl]piperazin-1-yl]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.0892 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.09648 184.4
[M+Na]+ 517.07842 188.0
[M-H]- 493.08192 186.8
[M+NH4]+ 512.12302 192.5
[M+K]+ 533.05236 172.4
[M+H-H2O]+ 477.08646 189.7
[M+HCOO]- 539.08740 188.4
[M+CH3COO]- 553.10305 231.4
[M+Na-2H]- 515.06387 184.0
[M]+ 494.08865 214.6
[M]- 494.08975 214.6
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.