CID 43438

60724-11-0

Structural Information

Molecular Formula
C19H24Br4NO2
SMILES
C[N+](C)(CCCCCCOC1=C(C=C(C=C1Br)Br)Br)CC2=CC=C(O2)Br
InChI
InChI=1S/C19H24Br4NO2/c1-24(2,13-15-7-8-18(23)26-15)9-5-3-4-6-10-25-19-16(21)11-14(20)12-17(19)22/h7-8,11-12H,3-6,9-10,13H2,1-2H3/q+1
InChIKey
MTVJDRPZFGCKST-UHFFFAOYSA-N
Compound name
(5-bromofuran-2-yl)methyl-dimethyl-[6-(2,4,6-tribromophenoxy)hexyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

613.85406 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 614.86134 182.6
[M+Na]+ 636.84328 177.3
[M+NH4]+ 631.88788 183.2
[M+K]+ 652.81722 182.7
[M-H]- 612.84678 184.7
[M+Na-2H]- 634.82873 182.4
[M]+ 613.85351 182.9
[M]- 613.85461 182.9
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.