CID 3074781

(+-)-2',4'-difluoro-n-ethyl-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanamide

Structural Information

Molecular Formula
C19H19F2NO2
SMILES
CCNC(=O)C(C)CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C19H19F2NO2/c1-3-22-19(24)12(2)10-18(23)14-6-4-13(5-7-14)16-9-8-15(20)11-17(16)21/h4-9,11-12H,3,10H2,1-2H3,(H,22,24)
InChIKey
GJKJZZUIATUTOD-UHFFFAOYSA-N
Compound name
4-[4-(2,4-difluorophenyl)phenyl]-N-ethyl-2-methyl-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1384 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14568 177.3
[M+Na]+ 354.12762 183.4
[M-H]- 330.13112 181.1
[M+NH4]+ 349.17222 190.6
[M+K]+ 370.10156 178.9
[M+H-H2O]+ 314.13566 167.3
[M+HCOO]- 376.13660 196.6
[M+CH3COO]- 390.15225 215.2
[M+Na-2H]- 352.11307 175.9
[M]+ 331.13785 175.8
[M]- 331.13895 175.8
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.