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 196.8
[M+Na]+ 434.07262 206.3
[M-H]- 410.07612 209.3
[M+NH4]+ 429.11722 211.4
[M+K]+ 450.04656 194.5
[M+H-H2O]+ 394.08066 194.3
[M+HCOO]- 456.08160 217.4
[M+CH3COO]- 470.09725 222.3
[M+Na-2H]- 432.05807 197.7
[M]+ 411.08285 217.9
[M]- 411.08395 217.9
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.