CID 24212793

853331-12-1

Structural Information

Molecular Formula
C21H20BrNO3
SMILES
COC1=CC=C(C=C1)CNC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C21H20BrNO3/c1-25-18-8-2-15(3-9-18)14-23-21(24)13-11-19-10-12-20(26-19)16-4-6-17(22)7-5-16/h2-10,12H,11,13-14H2,1H3,(H,23,24)
InChIKey
BCSMPFFQZHRQIL-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.06265 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.06993 192.9
[M+Na]+ 436.05187 196.9
[M+NH4]+ 431.09647 196.6
[M+K]+ 452.02581 196.5
[M-H]- 412.05537 197.9
[M+Na-2H]- 434.03732 197.2
[M]+ 413.06210 193.8
[M]- 413.06320 193.8
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.