CID 24212798

853331-24-5

Structural Information

Molecular Formula
C22H22BrNO3
SMILES
COC1=CC=C(C=C1)CCNC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C22H22BrNO3/c1-26-19-8-2-16(3-9-19)14-15-24-22(25)13-11-20-10-12-21(27-20)17-4-6-18(23)7-5-17/h2-10,12H,11,13-15H2,1H3,(H,24,25)
InChIKey
GTULABAMSOCZSS-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.0783 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.08558 199.3
[M+Na]+ 450.06752 207.7
[M-H]- 426.07102 211.4
[M+NH4]+ 445.11212 212.9
[M+K]+ 466.04146 196.5
[M+H-H2O]+ 410.07556 196.4
[M+HCOO]- 472.07650 220.1
[M+CH3COO]- 486.09215 223.1
[M+Na-2H]- 448.05297 201.0
[M]+ 427.07775 221.3
[M]- 427.07885 221.3
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.