CID 6482330

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

Structural Information

Molecular Formula
C20H18FN5O4S
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C=NC=N3)F)CNC(=O)CCC(=O)C4=CC=CS4
InChI
InChI=1S/C20H18FN5O4S/c21-15-8-13(3-4-16(15)26-12-22-11-24-26)25-10-14(30-20(25)29)9-23-19(28)6-5-17(27)18-2-1-7-31-18/h1-4,7-8,11-12,14H,5-6,9-10H2,(H,23,28)/t14-/m0/s1
InChIKey
LOLIDYVJUITTOA-AWEZNQCLSA-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-oxo-4-thiophen-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.10635 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.11363 198.9
[M+Na]+ 466.09557 207.1
[M-H]- 442.09907 208.6
[M+NH4]+ 461.14017 206.9
[M+K]+ 482.06951 203.8
[M+H-H2O]+ 426.10361 189.8
[M+HCOO]- 488.10455 213.9
[M+CH3COO]- 502.12020 208.2
[M+Na-2H]- 464.08102 192.7
[M]+ 443.10580 203.8
[M]- 443.10690 203.8
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.