CID 497420

(5r)-3-[3-fluoro-4-(4-methyl-1h-imidazol-1-yl)phenyl]-5-[(4h-1,2,3-triazol-4-ylthio)methyl]-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C16H15FN6O2S
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CSC4C=NN=N4)F
InChI
InChI=1S/C16H15FN6O2S/c1-10-6-22(9-18-10)14-3-2-11(4-13(14)17)23-7-12(25-16(23)24)8-26-15-5-19-21-20-15/h2-6,9,12,15H,7-8H2,1H3/t12-,15?/m1/s1
InChIKey
MJTSSHFHMFKEOX-KEKZHRQWSA-N
Compound name
(5R)-3-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-5-(4H-triazol-4-ylsulfanylmethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.09613 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10341 182.5
[M+Na]+ 397.08535 194.5
[M-H]- 373.08885 189.8
[M+NH4]+ 392.12995 191.8
[M+K]+ 413.05929 190.3
[M+H-H2O]+ 357.09339 173.0
[M+HCOO]- 419.09433 195.2
[M+CH3COO]- 433.10998 192.9
[M+Na-2H]- 395.07080 175.6
[M]+ 374.09558 186.5
[M]- 374.09668 186.5
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.