CID 44146630

1,1'-(1,6-hexanediyl)bis(4-(3-bromo-1-oxopropyl)-1-methylpiperazinium) dibromide

Structural Information

Molecular Formula
C22H40Br2N4O2
SMILES
C1CN(CCN1CCCCCCN2CCN(CC2)CC(=O)CCBr)CC(=O)CCBr
InChI
InChI=1S/C22H40Br2N4O2/c23-7-5-21(29)19-27-15-11-25(12-16-27)9-3-1-2-4-10-26-13-17-28(18-14-26)20-22(30)6-8-24/h1-20H2
InChIKey
VGGAGJCGNJIGBR-UHFFFAOYSA-N
Compound name
4-bromo-1-[4-[6-[4-(4-bromo-2-oxobutyl)piperazin-1-yl]hexyl]piperazin-1-yl]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.1518 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.15908 199.0
[M+Na]+ 573.14102 201.2
[M-H]- 549.14452 200.7
[M+NH4]+ 568.18562 205.2
[M+K]+ 589.11496 184.9
[M+H-H2O]+ 533.14906 203.6
[M+HCOO]- 595.15000 201.8
[M+CH3COO]- 609.16565 240.0
[M+Na-2H]- 571.12647 196.8
[M]+ 550.15125 230.1
[M]- 550.15235 230.1
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.