CID 50510

Brn 1170724

Structural Information

Molecular Formula
C19H17Br2NO3
SMILES
C1COCCN1CC2=CC3=C(C(=C(O3)Br)C4=CC=CC=C4)C(=C2O)Br
InChI
InChI=1S/C19H17Br2NO3/c20-17-16-14(25-19(21)15(16)12-4-2-1-3-5-12)10-13(18(17)23)11-22-6-8-24-9-7-22/h1-5,10,23H,6-9,11H2
InChIKey
VWXJTOIYSXBURP-UHFFFAOYSA-N
Compound name
2,4-dibromo-6-(morpholin-4-ylmethyl)-3-phenyl-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.95752 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.96480 188.9
[M+Na]+ 487.94674 185.3
[M+NH4]+ 482.99134 190.5
[M+K]+ 503.92068 191.1
[M-H]- 463.95024 192.8
[M+Na-2H]- 485.93219 189.2
[M]+ 464.95697 188.6
[M]- 464.95807 188.6
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.