CID 3074782

161692-84-8

Structural Information

Molecular Formula
C21H23F2NO2
SMILES
CCCCNC(=O)C(C)CC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C21H23F2NO2/c1-3-4-11-24-21(26)14(2)12-20(25)16-7-5-15(6-8-16)18-10-9-17(22)13-19(18)23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,26)
InChIKey
NOKZOXCOKINUSQ-UHFFFAOYSA-N
Compound name
N-butyl-4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.16968 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17696 186.6
[M+Na]+ 382.15890 191.8
[M-H]- 358.16240 190.1
[M+NH4]+ 377.20350 198.8
[M+K]+ 398.13284 186.9
[M+H-H2O]+ 342.16694 176.2
[M+HCOO]- 404.16788 205.2
[M+CH3COO]- 418.18353 221.1
[M+Na-2H]- 380.14435 184.2
[M]+ 359.16913 185.9
[M]- 359.17023 185.9
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.