CID 476943

N-[[(5s)-3-[4-(1-acetylpyrazol-4-yl)-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide

Structural Information

Molecular Formula
C17H17FN4O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CN(N=C3)C(=O)C)F
InChI
InChI=1S/C17H17FN4O4/c1-10(23)19-7-14-9-21(17(25)26-14)13-3-4-15(16(18)5-13)12-6-20-22(8-12)11(2)24/h3-6,8,14H,7,9H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKey
ALJBTJKSTPIWCW-AWEZNQCLSA-N
Compound name
N-[[(5S)-3-[4-(1-acetylpyrazol-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.12338 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13066 182.1
[M+Na]+ 383.11260 189.9
[M-H]- 359.11610 188.6
[M+NH4]+ 378.15720 192.5
[M+K]+ 399.08654 187.3
[M+H-H2O]+ 343.12064 172.3
[M+HCOO]- 405.12158 200.0
[M+CH3COO]- 419.13723 216.0
[M+Na-2H]- 381.09805 178.6
[M]+ 360.12283 183.1
[M]- 360.12393 183.1
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.