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]+ 370.04372 183.0
[M+Na]+ 392.02566 192.1
[M-H]- 368.02916 195.4
[M+NH4]+ 387.07026 198.7
[M+K]+ 407.99960 180.9
[M+H-H2O]+ 352.03370 180.9
[M+HCOO]- 414.03464 204.7
[M+CH3COO]- 428.05029 195.8
[M+Na-2H]- 390.01111 186.9
[M]+ 369.03589 202.5
[M]- 369.03699 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.