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
2
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 205.5
[M+Na]+ 481.15569 209.0
[M-H]- 457.15919 206.6
[M+NH4]+ 476.20029 212.3
[M+K]+ 497.12963 207.0
[M+H-H2O]+ 441.16373 194.6
[M+HCOO]- 503.16467 218.4
[M+CH3COO]- 517.18032 233.3
[M+Na-2H]- 479.14114 201.5
[M]+ 458.16592 206.3
[M]- 458.16702 206.3
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.