CID 50505

Brn 1166858

Structural Information

Molecular Formula
C19H18BrNO3
SMILES
C1COCCN1CC2=CC3=C(C=C(O3)C4=CC=CC=C4)C(=C2O)Br
InChI
InChI=1S/C19H18BrNO3/c20-18-15-11-16(13-4-2-1-3-5-13)24-17(15)10-14(19(18)22)12-21-6-8-23-9-7-21/h1-5,10-11,22H,6-9,12H2
InChIKey
NGFDYFITIBVQLY-UHFFFAOYSA-N
Compound name
4-bromo-6-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.047 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05428 186.7
[M+Na]+ 410.03622 197.1
[M-H]- 386.03972 198.2
[M+NH4]+ 405.08082 200.2
[M+K]+ 426.01016 187.3
[M+H-H2O]+ 370.04426 185.2
[M+HCOO]- 432.04520 201.9
[M+CH3COO]- 446.06085 198.9
[M+Na-2H]- 408.02167 190.5
[M]+ 387.04645 205.7
[M]- 387.04755 205.7
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.