CID 215432

Piperazine, 1-((5,7-dibromo-6-methoxy-3-methylbenzofuran-2-yl)carbonyl)-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H18Br2N2O3
SMILES
CC1=C(OC2=C(C(=C(C=C12)Br)OC)Br)C(=O)N3CCN(CC3)C
InChI
InChI=1S/C16H18Br2N2O3/c1-9-10-8-11(17)15(22-3)12(18)14(10)23-13(9)16(21)20-6-4-19(2)5-7-20/h8H,4-7H2,1-3H3
InChIKey
DUYCAMZMRLAOEI-UHFFFAOYSA-N
Compound name
(5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.9684 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.97568 175.8
[M+Na]+ 466.95762 186.6
[M-H]- 442.96112 184.4
[M+NH4]+ 462.00222 189.9
[M+K]+ 482.93156 173.2
[M+H-H2O]+ 426.96566 183.1
[M+HCOO]- 488.96660 186.9
[M+CH3COO]- 502.98225 224.7
[M+Na-2H]- 464.94307 177.7
[M]+ 443.96785 212.3
[M]- 443.96895 212.3
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.