CID 6482329

(s)-n-[[3-(3-fluoro-4-(1,2,4-triazolyl)phenyl)-2-oxo-5-oxazolidinyl]methyl]-4-(4-(2-methylpropyl)phenyl)-4-oxobutanamide

Structural Information

Molecular Formula
C26H28FN5O4
SMILES
CC(C)CC1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4C=NC=N4)F
InChI
InChI=1S/C26H28FN5O4/c1-17(2)11-18-3-5-19(6-4-18)24(33)9-10-25(34)29-13-21-14-31(26(35)36-21)20-7-8-23(22(27)12-20)32-16-28-15-30-32/h3-8,12,15-17,21H,9-11,13-14H2,1-2H3,(H,29,34)/t21-/m0/s1
InChIKey
XEXPLGIEEGXLAF-NRFANRHFSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-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

493.21252 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.21980 217.7
[M+Na]+ 516.20174 221.8
[M-H]- 492.20524 225.2
[M+NH4]+ 511.24634 220.3
[M+K]+ 532.17568 217.5
[M+H-H2O]+ 476.20978 205.1
[M+HCOO]- 538.21072 231.2
[M+CH3COO]- 552.22637 242.4
[M+Na-2H]- 514.18719 210.6
[M]+ 493.21197 219.0
[M]- 493.21307 219.0
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.