CID 24212792

853331-09-6

Structural Information

Molecular Formula
C20H18BrNO2
SMILES
C1=CC=C(C=C1)CNC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C20H18BrNO2/c21-17-8-6-16(7-9-17)19-12-10-18(24-19)11-13-20(23)22-14-15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H,22,23)
InChIKey
ATYXCANVCZHNOA-UHFFFAOYSA-N
Compound name
N-benzyl-3-[5-(4-bromophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.0521 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.05938 187.6
[M+Na]+ 406.04132 196.3
[M-H]- 382.04482 199.8
[M+NH4]+ 401.08592 202.8
[M+K]+ 422.01526 184.9
[M+H-H2O]+ 366.04936 185.3
[M+HCOO]- 428.05030 209.0
[M+CH3COO]- 442.06595 214.5
[M+Na-2H]- 404.02677 191.0
[M]+ 383.05155 207.3
[M]- 383.05265 207.3
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.