CID 16728417

N,n-dimethyl-3-[(4,5,6-tribromo-2,2-dimethyl-3h-benzofuran-7-yl)oxy]propan-1-amine

Structural Information

Molecular Formula
C15H20Br3NO2
SMILES
CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCCCN(C)C)C
InChI
InChI=1S/C15H20Br3NO2/c1-15(2)8-9-10(16)11(17)12(18)14(13(9)21-15)20-7-5-6-19(3)4/h5-8H2,1-4H3
InChIKey
BTMXBSASUAQZHR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[(4,5,6-tribromo-2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

482.90442 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.91170 171.4
[M+Na]+ 505.89364 179.0
[M-H]- 481.89714 178.2
[M+NH4]+ 500.93824 185.8
[M+K]+ 521.86758 164.9
[M+H-H2O]+ 465.90168 185.4
[M+HCOO]- 527.90262 180.4
[M+CH3COO]- 541.91827 236.6
[M+Na-2H]- 503.87909 173.6
[M]+ 482.90387 215.2
[M]- 482.90497 215.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.