CID 5273687

Chembl291047

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CN(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3O3/c1-12(20)17-9-15-11-19(16(21)22-15)14-7-8-18(10-14)13-5-3-2-4-6-13/h2-8,10,15H,9,11H2,1H3,(H,17,20)/t15-/m0/s1
InChIKey
PIRXDJCIXTWIJG-HNNXBMFYSA-N
Compound name
N-[[(5S)-2-oxo-3-(1-phenylpyrrol-3-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

299.12698 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 168.4
[M+Na]+ 322.11620 175.0
[M-H]- 298.11970 176.7
[M+NH4]+ 317.16080 182.4
[M+K]+ 338.09014 172.7
[M+H-H2O]+ 282.12424 159.7
[M+HCOO]- 344.12518 189.6
[M+CH3COO]- 358.14083 203.3
[M+Na-2H]- 320.10165 168.3
[M]+ 299.12643 168.7
[M]- 299.12753 168.7
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.