CID 454609

148797-15-3

Structural Information

Molecular Formula
C26H24F2N2O4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)C(C(=O)NCC2=CC=CC=C2)(F)F)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C26H24F2N2O4/c27-26(28,24(32)29-17-20-12-6-2-7-13-20)23(31)22(16-19-10-4-1-5-11-19)30-25(33)34-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,29,32)(H,30,33)/t22-/m0/s1
InChIKey
DVZYXCFGZKASRG-QFIPXVFZSA-N
Compound name
benzyl N-[(2S)-5-(benzylamino)-4,4-difluoro-3,5-dioxo-1-phenylpentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.1704 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.17768 210.0
[M+Na]+ 489.15962 210.4
[M-H]- 465.16312 215.1
[M+NH4]+ 484.20422 215.5
[M+K]+ 505.13356 206.3
[M+H-H2O]+ 449.16766 197.3
[M+HCOO]- 511.16860 227.0
[M+CH3COO]- 525.18425 236.6
[M+Na-2H]- 487.14507 210.5
[M]+ 466.16985 207.2
[M]- 466.17095 207.2
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.