CID 24208929

N-(2,6-diethylphenyl)-3-(3-fluorophenyl)propanamide

Structural Information

Molecular Formula
C19H22FNO
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)CCC2=CC(=CC=C2)F
InChI
InChI=1S/C19H22FNO/c1-3-15-8-6-9-16(4-2)19(15)21-18(22)12-11-14-7-5-10-17(20)13-14/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,22)
InChIKey
YPFHRAKZGOUACP-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)-3-(3-fluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.16855 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17583 172.1
[M+Na]+ 322.15777 178.6
[M-H]- 298.16127 177.3
[M+NH4]+ 317.20237 187.3
[M+K]+ 338.13171 173.5
[M+H-H2O]+ 282.16581 163.0
[M+HCOO]- 344.16675 194.2
[M+CH3COO]- 358.18240 209.4
[M+Na-2H]- 320.14322 173.8
[M]+ 299.16800 172.3
[M]- 299.16910 172.3
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.