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 187.4
[M+Na]+ 427.96592 199.5
[M-H]- 403.96942 200.6
[M+NH4]+ 423.01052 203.2
[M+K]+ 443.93986 187.4
[M+H-H2O]+ 387.97396 186.0
[M+HCOO]- 449.97490 205.2
[M+CH3COO]- 463.99055 216.6
[M+Na-2H]- 425.95137 190.3
[M]+ 404.97615 210.9
[M]- 404.97725 210.9
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.