CID 454623

148797-27-7

Structural Information

Molecular Formula
C27H26F2N2O4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)C(CNC(=O)CC2=CC=CC=C2)(F)F)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C27H26F2N2O4/c28-27(29,19-30-24(32)17-21-12-6-2-7-13-21)25(33)23(16-20-10-4-1-5-11-20)31-26(34)35-18-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,30,32)(H,31,34)/t23-/m0/s1
InChIKey
DYBFRICXIWEKTC-QHCPKHFHSA-N
Compound name
benzyl N-[(2S)-4,4-difluoro-3-oxo-1-phenyl-5-[(2-phenylacetyl)amino]pentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.18607 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.19335 214.4
[M+Na]+ 503.17529 214.4
[M-H]- 479.17879 219.3
[M+NH4]+ 498.21989 219.3
[M+K]+ 519.14923 210.0
[M+H-H2O]+ 463.18333 201.5
[M+HCOO]- 525.18427 231.1
[M+CH3COO]- 539.19992 239.4
[M+Na-2H]- 501.16074 214.4
[M]+ 480.18552 211.9
[M]- 480.18662 211.9
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.