CID 24212787

853330-94-6

Structural Information

Molecular Formula
C22H22BrNO2
SMILES
CCC1=CC=CC(=C1NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br)C
InChI
InChI=1S/C22H22BrNO2/c1-3-16-6-4-5-15(2)22(16)24-21(25)14-12-19-11-13-20(26-19)17-7-9-18(23)10-8-17/h4-11,13H,3,12,14H2,1-2H3,(H,24,25)
InChIKey
NEARVRQSBDIIMO-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-(2-ethyl-6-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.0834 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.09068 193.7
[M+Na]+ 434.07262 198.3
[M+NH4]+ 429.11722 197.9
[M+K]+ 450.04656 197.4
[M-H]- 410.07612 199.2
[M+Na-2H]- 432.05807 198.1
[M]+ 411.08285 194.9
[M]- 411.08395 194.9
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.