CID 202322

10104-58-2

Structural Information

Molecular Formula
C22H22FNO2
SMILES
C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)F)OC(=O)NC3CCCCC3
InChI
InChI=1S/C22H22FNO2/c1-2-22(17-9-5-3-6-10-17,18-13-15-19(23)16-14-18)26-21(25)24-20-11-7-4-8-12-20/h1,3,5-6,9-10,13-16,20H,4,7-8,11-12H2,(H,24,25)
InChIKey
FNUYDFQKUFAYFP-UHFFFAOYSA-N
Compound name
[1-(4-fluorophenyl)-1-phenylprop-2-ynyl] N-cyclohexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16345 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17073 190.1
[M+Na]+ 374.15267 195.7
[M-H]- 350.15617 193.8
[M+NH4]+ 369.19727 199.8
[M+K]+ 390.12661 187.2
[M+H-H2O]+ 334.16071 174.3
[M+HCOO]- 396.16165 201.2
[M+CH3COO]- 410.17730 217.9
[M+Na-2H]- 372.13812 190.2
[M]+ 351.16290 178.5
[M]- 351.16400 178.5
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

patents stripe