CID 120779

4-morpholinepropionanilide, 5'-ethyl-2'-fluoro-beta-methyl-

Structural Information

Molecular Formula
C16H23FN2O2
SMILES
CCC1=CC(=C(C=C1)F)NC(=O)CC(C)N2CCOCC2
InChI
InChI=1S/C16H23FN2O2/c1-3-13-4-5-14(17)15(11-13)18-16(20)10-12(2)19-6-8-21-9-7-19/h4-5,11-12H,3,6-10H2,1-2H3,(H,18,20)
InChIKey
KNNLXBYTOJJCPH-UHFFFAOYSA-N
Compound name
N-(5-ethyl-2-fluorophenyl)-3-morpholin-4-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17435 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.181626 171.9
[M+Na]+ 317.163568 175.4
[M-H]- 293.167074 175.3
[M+NH4]+ 312.208173 183.8
[M+K]+ 333.137508 173.4
[M+H-H2O]+ 277.171610 162.0
[M+HCOO]- 339.172551 187.5
[M+CH3COO]- 353.188201 206.0
[M+Na-2H]- 315.149016 172.5
[M]+ 294.17380142 168.3
[M]- 294.17489858 168.3
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.