CID 3082654

(2s)-2-acetamido-4-methyl-n-[(2s)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide

Structural Information

Molecular Formula
C18H23F3N2O3
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(F)(F)F)NC(=O)C
InChI
InChI=1S/C18H23F3N2O3/c1-11(2)9-15(22-12(3)24)17(26)23-14(16(25)18(19,20)21)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,22,24)(H,23,26)/t14-,15-/m0/s1
InChIKey
MZNXJCZDQRNGRC-GJZGRUSLSA-N
Compound name
(2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

372.16608 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17336 186.8
[M+Na]+ 395.15530 188.6
[M-H]- 371.15880 185.2
[M+NH4]+ 390.19990 197.5
[M+K]+ 411.12924 186.9
[M+H-H2O]+ 355.16334 176.9
[M+HCOO]- 417.16428 201.0
[M+CH3COO]- 431.17993 223.5
[M+Na-2H]- 393.14075 182.9
[M]+ 372.16553 182.6
[M]- 372.16663 182.6
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

No patent data available for this compound.