CID 454616

148797-22-2

Structural Information

Molecular Formula
C24H28F2N2O4
SMILES
CC(C)(C)CNC(=O)C(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)(F)F
InChI
InChI=1S/C24H28F2N2O4/c1-23(2,3)16-27-21(30)24(25,26)20(29)19(14-17-10-6-4-7-11-17)28-22(31)32-15-18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3,(H,27,30)(H,28,31)/t19-/m0/s1
InChIKey
PGKUTYZXZWIMFV-IBGZPJMESA-N
Compound name
benzyl N-[(2S)-5-(2,2-dimethylpropylamino)-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

446.20172 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20900 206.2
[M+Na]+ 469.19094 207.0
[M-H]- 445.19444 208.6
[M+NH4]+ 464.23554 213.5
[M+K]+ 485.16488 204.4
[M+H-H2O]+ 429.19898 195.5
[M+HCOO]- 491.19992 221.3
[M+CH3COO]- 505.21557 234.4
[M+Na-2H]- 467.17639 206.4
[M]+ 446.20117 204.8
[M]- 446.20227 204.8
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.