CID 24212772

853330-49-1

Structural Information

Molecular Formula
C19H16BrNO2
SMILES
C1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H16BrNO2/c20-15-8-6-14(7-9-15)18-12-10-17(23-18)11-13-19(22)21-16-4-2-1-3-5-16/h1-10,12H,11,13H2,(H,21,22)
InChIKey
KJCWSYKFOMEAHL-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.03644 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.043716 183.0
[M+Na]+ 392.025658 192.1
[M-H]- 368.029164 195.4
[M+NH4]+ 387.070263 198.7
[M+K]+ 407.999598 180.9
[M+H-H2O]+ 352.033700 180.9
[M+HCOO]- 414.034641 204.7
[M+CH3COO]- 428.050291 195.8
[M+Na-2H]- 390.011106 186.9
[M]+ 369.03589142 202.5
[M]- 369.03698858 202.5
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.