CID 9909872

2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxo-n-phenylpentanamide

Structural Information

Molecular Formula
C26H24FNO3
SMILES
CC(C)C(=O)C(C(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C26H24FNO3/c1-17(2)24(29)23(26(31)28-21-11-7-4-8-12-21)22(18-9-5-3-6-10-18)25(30)19-13-15-20(27)16-14-19/h3-17,22-23H,1-2H3,(H,28,31)
InChIKey
SNPBHOICIJUUFB-UHFFFAOYSA-N
Compound name
2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

296
Patents

417.174 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.18128 201.4
[M+Na]+ 440.16322 202.7
[M-H]- 416.16672 208.2
[M+NH4]+ 435.20782 209.3
[M+K]+ 456.13716 198.6
[M+H-H2O]+ 400.17126 190.3
[M+HCOO]- 462.17220 217.8
[M+CH3COO]- 476.18785 230.7
[M+Na-2H]- 438.14867 197.6
[M]+ 417.17345 198.9
[M]- 417.17455 198.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe