CID 24212841

853333-08-1

Structural Information

Molecular Formula
C18H13BrClNO3
SMILES
COC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC3=CC(=CC=C3)Br)Cl
InChI
InChI=1S/C18H13BrClNO3/c1-23-16-6-5-11(9-14(16)20)15-7-8-17(24-15)18(22)21-13-4-2-3-12(19)10-13/h2-10H,1H3,(H,21,22)
InChIKey
KCZPYQBMFPJPCU-UHFFFAOYSA-N
Compound name
N-(3-bromophenyl)-5-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.9767 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.98398 186.1
[M+Na]+ 427.96592 191.7
[M+NH4]+ 423.01052 190.5
[M+K]+ 443.93986 191.3
[M-H]- 403.96942 191.3
[M+Na-2H]- 425.95137 191.0
[M]+ 404.97615 187.6
[M]- 404.97725 187.6
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.