CID 454618

148797-24-4

Structural Information

Molecular Formula
C19H18F2N2O4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)C(C(=O)N)(F)F)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H18F2N2O4/c20-19(21,17(22)25)16(24)15(11-13-7-3-1-4-8-13)23-18(26)27-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,22,25)(H,23,26)/t15-/m0/s1
InChIKey
MCOPTZNLNORUTI-HNNXBMFYSA-N
Compound name
benzyl N-[(2S)-5-amino-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

376.12347 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13075 185.5
[M+Na]+ 399.11269 188.0
[M-H]- 375.11619 187.9
[M+NH4]+ 394.15729 195.1
[M+K]+ 415.08663 185.2
[M+H-H2O]+ 359.12073 174.9
[M+HCOO]- 421.12167 203.2
[M+CH3COO]- 435.13732 220.2
[M+Na-2H]- 397.09814 185.8
[M]+ 376.12292 182.0
[M]- 376.12402 182.0
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.