CID 50509

Brn 1267802

Structural Information

Molecular Formula
C20H19Br2NO2
SMILES
C1CCN(CC1)CC2=CC3=C(C(=C(O3)Br)C4=CC=CC=C4)C(=C2O)Br
InChI
InChI=1S/C20H19Br2NO2/c21-18-17-15(25-20(22)16(17)13-7-3-1-4-8-13)11-14(19(18)24)12-23-9-5-2-6-10-23/h1,3-4,7-8,11,24H,2,5-6,9-10,12H2
InChIKey
IDVUSQJUJHSTQE-UHFFFAOYSA-N
Compound name
2,4-dibromo-3-phenyl-6-(piperidin-1-ylmethyl)-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.97824 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.98552 188.1
[M+Na]+ 485.96746 197.1
[M-H]- 461.97096 198.5
[M+NH4]+ 481.01206 201.5
[M+K]+ 501.94140 183.1
[M+H-H2O]+ 445.97550 195.5
[M+HCOO]- 507.97644 199.3
[M+CH3COO]- 521.99209 199.1
[M+Na-2H]- 483.95291 190.2
[M]+ 462.97769 221.4
[M]- 462.97879 221.4
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.