CID 24212797

853331-22-3

Structural Information

Molecular Formula
C19H22BrNO2
SMILES
C1CCC(CC1)NC(=O)CCC2=CC=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C19H22BrNO2/c20-15-8-6-14(7-9-15)18-12-10-17(23-18)11-13-19(22)21-16-4-2-1-3-5-16/h6-10,12,16H,1-5,11,13H2,(H,21,22)
InChIKey
OCZVMZSMOZWIRL-UHFFFAOYSA-N
Compound name
3-[5-(4-bromophenyl)furan-2-yl]-N-cyclohexylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0834 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09068 184.9
[M+Na]+ 398.07262 187.0
[M+NH4]+ 393.11722 189.3
[M+K]+ 414.04656 187.0
[M-H]- 374.07612 189.9
[M+Na-2H]- 396.05807 188.1
[M]+ 375.08285 185.4
[M]- 375.08395 185.4
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.