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 187.4
[M+Na]+ 487.94674 196.6
[M-H]- 463.95024 198.3
[M+NH4]+ 482.99134 199.6
[M+K]+ 503.92068 184.1
[M+H-H2O]+ 447.95478 194.8
[M+HCOO]- 509.95572 198.2
[M+CH3COO]- 523.97137 198.6
[M+Na-2H]- 485.93219 190.2
[M]+ 464.95697 221.9
[M]- 464.95807 221.9
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.