CID 24212774

853330-55-9

Structural Information

Molecular Formula
C21H20BrNO3
SMILES
CCOC1=CC=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C21H20BrNO3/c1-2-25-18-9-7-17(8-10-18)23-21(24)14-12-19-11-13-20(26-19)15-3-5-16(22)6-4-15/h3-11,13H,2,12,14H2,1H3,(H,23,24)
InChIKey
QONCUWSHHAIJPD-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-(4-ethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.06265 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.06993 194.7
[M+Na]+ 436.05187 203.5
[M-H]- 412.05537 207.1
[M+NH4]+ 431.09647 208.9
[M+K]+ 452.02581 192.6
[M+H-H2O]+ 396.05991 192.0
[M+HCOO]- 458.06085 215.9
[M+CH3COO]- 472.07650 220.4
[M+Na-2H]- 434.03732 197.0
[M]+ 413.06210 216.4
[M]- 413.06320 216.4
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.