CID 24212782

853330-79-7

Structural Information

Molecular Formula
C20H18BrNO3
SMILES
COC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C20H18BrNO3/c1-24-17-8-6-16(7-9-17)22-20(23)13-11-18-10-12-19(25-18)14-2-4-15(21)5-3-14/h2-10,12H,11,13H2,1H3,(H,22,23)
InChIKey
WEXVTOFNFOKOML-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-(4-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.047 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.05428 190.1
[M+Na]+ 422.03622 199.4
[M-H]- 398.03972 202.7
[M+NH4]+ 417.08082 204.8
[M+K]+ 438.01016 188.6
[M+H-H2O]+ 382.04426 187.6
[M+HCOO]- 444.04520 211.6
[M+CH3COO]- 458.06085 217.6
[M+Na-2H]- 420.02167 192.9
[M]+ 399.04645 211.5
[M]- 399.04755 211.5
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.