CID 6482336

(s)-n-[[3-(3-fluoro-4-piperidylphenyl)-2-oxo-5-oxazolidinyl]methyl]-4-oxo-4-(4-(2-methylpropyl)phenyl)-4-oxobutanamide

Structural Information

Molecular Formula
C29H36FN3O4
SMILES
CC(C)CC1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCCCC4)F
InChI
InChI=1S/C29H36FN3O4/c1-20(2)16-21-6-8-22(9-7-21)27(34)12-13-28(35)31-18-24-19-33(29(36)37-24)23-10-11-26(25(30)17-23)32-14-4-3-5-15-32/h6-11,17,20,24H,3-5,12-16,18-19H2,1-2H3,(H,31,35)/t24-/m0/s1
InChIKey
OVQLIEKMUDWXNW-DEOSSOPVSA-N
Compound name
N-[[(5S)-3-(3-fluoro-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.26898 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.27626 227.0
[M+Na]+ 532.25820 227.3
[M-H]- 508.26170 234.5
[M+NH4]+ 527.30280 229.3
[M+K]+ 548.23214 222.9
[M+H-H2O]+ 492.26624 214.1
[M+HCOO]- 554.26718 236.9
[M+CH3COO]- 568.28283 247.3
[M+Na-2H]- 530.24365 218.2
[M]+ 509.26843 223.1
[M]- 509.26953 223.1
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.