CID 130982

128311-86-4

Structural Information

Molecular Formula
C17H17N3O3
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC=C(C=C2)C3=CC=NC=C3
InChI
InChI=1S/C17H17N3O3/c1-12(21)19-10-16-11-20(17(22)23-16)15-4-2-13(3-5-15)14-6-8-18-9-7-14/h2-9,16H,10-11H2,1H3,(H,19,21)/t16-/m0/s1
InChIKey
ATUSJGSEEOKKNJ-INIZCTEOSA-N
Compound name
N-[[(5S)-2-oxo-3-(4-pyridin-4-ylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

311.12698 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 172.3
[M+Na]+ 334.11620 178.8
[M-H]- 310.11970 180.2
[M+NH4]+ 329.16080 183.9
[M+K]+ 350.09014 175.7
[M+H-H2O]+ 294.12424 162.4
[M+HCOO]- 356.12518 192.4
[M+CH3COO]- 370.14083 206.2
[M+Na-2H]- 332.10165 174.3
[M]+ 311.12643 172.0
[M]- 311.12753 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe