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 187.3
[M+Na]+ 398.07262 193.6
[M-H]- 374.07612 198.6
[M+NH4]+ 393.11722 202.6
[M+K]+ 414.04656 182.7
[M+H-H2O]+ 358.08066 185.2
[M+HCOO]- 420.08160 205.0
[M+CH3COO]- 434.09725 212.8
[M+Na-2H]- 396.05807 188.4
[M]+ 375.08285 202.8
[M]- 375.08395 202.8
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.