CID 6482325

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

Structural Information

Molecular Formula
C22H20FN5O4
SMILES
C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)N3C=NC=N3)F)CNC(=O)CCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H20FN5O4/c23-18-10-16(6-7-19(18)28-14-24-13-26-28)27-12-17(32-22(27)31)11-25-21(30)9-8-20(29)15-4-2-1-3-5-15/h1-7,10,13-14,17H,8-9,11-12H2,(H,25,30)/t17-/m0/s1
InChIKey
YODDPCCTUCPNIR-KRWDZBQOSA-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-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.14993 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.15721 200.0
[M+Na]+ 460.13915 205.5
[M-H]- 436.14265 207.7
[M+NH4]+ 455.18375 204.7
[M+K]+ 476.11309 201.3
[M+H-H2O]+ 420.14719 187.5
[M+HCOO]- 482.14813 215.9
[M+CH3COO]- 496.16378 228.9
[M+Na-2H]- 458.12460 196.5
[M]+ 437.14938 200.2
[M]- 437.15048 200.2
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.