CID 6482328

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

Structural Information

Molecular Formula
C26H28FN5O4
SMILES
CC(C)(C)C1=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/c1-26(2,3)18-6-4-17(5-7-18)23(33)10-11-24(34)29-13-20-14-31(25(35)36-20)19-8-9-22(21(27)12-19)32-16-28-15-30-32/h4-9,12,15-16,20H,10-11,13-14H2,1-3H3,(H,29,34)/t20-/m0/s1
InChIKey
QAPNTDCIBLQZLQ-FQEVSTJZSA-N
Compound name
4-(4-tert-butylphenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.21252 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.21980 218.4
[M+Na]+ 516.20174 223.3
[M-H]- 492.20524 226.2
[M+NH4]+ 511.24634 221.3
[M+K]+ 532.17568 219.1
[M+H-H2O]+ 476.20978 206.5
[M+HCOO]- 538.21072 231.3
[M+CH3COO]- 552.22637 241.4
[M+Na-2H]- 514.18719 213.6
[M]+ 493.21197 219.7
[M]- 493.21307 219.7
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.