CID 44150497

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

Structural Information

Molecular Formula
C19H34Br2N4O2
SMILES
C1CN(CCN1CCCN2CCN(CC2)CC(=O)CCBr)CC(=O)CCBr
InChI
InChI=1S/C19H34Br2N4O2/c20-4-2-18(26)16-24-12-8-22(9-13-24)6-1-7-23-10-14-25(15-11-23)17-19(27)3-5-21/h1-17H2
InChIKey
XKXDWEDFCQZKJG-UHFFFAOYSA-N
Compound name
4-bromo-1-[4-[3-[4-(4-bromo-2-oxobutyl)piperazin-1-yl]propyl]piperazin-1-yl]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.10486 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.11214 188.1
[M+Na]+ 531.09408 191.3
[M-H]- 507.09758 190.3
[M+NH4]+ 526.13868 195.7
[M+K]+ 547.06802 175.6
[M+H-H2O]+ 491.10212 193.2
[M+HCOO]- 553.10306 191.7
[M+CH3COO]- 567.11871 233.5
[M+Na-2H]- 529.07953 187.2
[M]+ 508.10431 218.5
[M]- 508.10541 218.5
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.