CID 452978

134450-34-3

Structural Information

Molecular Formula
C31H34F2N2O4
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(CCC2=CC=CC=C2)(F)F)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C31H34F2N2O4/c1-22(2)27(35-30(38)39-21-25-16-10-5-11-17-25)29(37)34-26(20-24-14-8-4-9-15-24)28(36)31(32,33)19-18-23-12-6-3-7-13-23/h3-17,22,26-27H,18-21H2,1-2H3,(H,34,37)(H,35,38)/t26-,27-/m0/s1
InChIKey
AOOMDOSCXSIDMV-SVBPBHIXSA-N
Compound name
benzyl N-[(2S)-1-[[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

536.24866 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.25594 230.9
[M+Na]+ 559.23788 228.4
[M-H]- 535.24138 235.0
[M+NH4]+ 554.28248 233.2
[M+K]+ 575.21182 224.8
[M+H-H2O]+ 519.24592 217.8
[M+HCOO]- 581.24686 244.2
[M+CH3COO]- 595.26251 252.5
[M+Na-2H]- 557.22333 226.8
[M]+ 536.24811 228.6
[M]- 536.24921 228.6
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.