CID 454613

148797-19-7

Structural Information

Molecular Formula
C23H26F2N2O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(C(=O)NCC2=CC=CC=C2)(F)F
InChI
InChI=1S/C23H26F2N2O4/c1-22(2,3)31-21(30)27-18(14-16-10-6-4-7-11-16)19(28)23(24,25)20(29)26-15-17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,26,29)(H,27,30)/t18-/m0/s1
InChIKey
FGWXXWXEHXDODE-SFHVURJKSA-N
Compound name
tert-butyl 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

432.18607 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.19335 201.7
[M+Na]+ 455.17529 203.0
[M-H]- 431.17879 204.3
[M+NH4]+ 450.21989 209.6
[M+K]+ 471.14923 200.5
[M+H-H2O]+ 415.18333 191.2
[M+HCOO]- 477.18427 217.2
[M+CH3COO]- 491.19992 231.5
[M+Na-2H]- 453.16074 202.4
[M]+ 432.18552 200.0
[M]- 432.18662 200.0
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.