CID 24208930

N-(4-butylphenyl)-3-(3-fluorophenyl)propanamide

Structural Information

Molecular Formula
C19H22FNO
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CCC2=CC(=CC=C2)F
InChI
InChI=1S/C19H22FNO/c1-2-3-5-15-8-11-18(12-9-15)21-19(22)13-10-16-6-4-7-17(20)14-16/h4,6-9,11-12,14H,2-3,5,10,13H2,1H3,(H,21,22)
InChIKey
KGNWYYKTZKDBIJ-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-3-(3-fluorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.16855 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17583 172.3
[M+Na]+ 322.15777 177.8
[M-H]- 298.16127 177.0
[M+NH4]+ 317.20237 187.1
[M+K]+ 338.13171 172.6
[M+H-H2O]+ 282.16581 163.0
[M+HCOO]- 344.16675 194.4
[M+CH3COO]- 358.18240 208.2
[M+Na-2H]- 320.14322 174.7
[M]+ 299.16800 172.1
[M]- 299.16910 172.1
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.