CID 102269401

126586-91-2

Structural Information

Molecular Formula
C21H25F3N2O6
SMILES
CCOC(=O)[C@H](CCC1=CC=CC=C1)N2[C@H](C(=O)OC2=O)CCCCNC(=O)C(F)(F)F
InChI
InChI=1S/C21H25F3N2O6/c1-2-31-17(27)16(12-11-14-8-4-3-5-9-14)26-15(18(28)32-20(26)30)10-6-7-13-25-19(29)21(22,23)24/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3,(H,25,29)/t15-,16-/m0/s1
InChIKey
MFBPXWZWNNBFOR-HOTGVXAUSA-N
Compound name
ethyl (2S)-2-[(4S)-2,5-dioxo-4-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-1,3-oxazolidin-3-yl]-4-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.16647 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.17375 208.5
[M+Na]+ 481.15569 211.5
[M+NH4]+ 476.20029 208.1
[M+K]+ 497.12963 210.9
[M-H]- 457.15919 203.7
[M+Na-2H]- 479.14114 206.0
[M]+ 458.16592 206.6
[M]- 458.16702 206.6
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.