CID 10775090

(s)-(+)-4-(1h-indol-3-ylmethyl)-2-oxazolidinone

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1[C@@H](NC(=O)O1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C12H12N2O2/c15-12-14-9(7-16-12)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13H,5,7H2,(H,14,15)/t9-/m0/s1
InChIKey
LGXHODFXCOIGGJ-VIFPVBQESA-N
Compound name
(4S)-4-(1H-indol-3-ylmethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

216.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 145.2
[M+Na]+ 239.07909 154.2
[M-H]- 215.08259 148.8
[M+NH4]+ 234.12369 163.0
[M+K]+ 255.05303 150.2
[M+H-H2O]+ 199.08713 138.5
[M+HCOO]- 261.08807 164.3
[M+CH3COO]- 275.10372 157.7
[M+Na-2H]- 237.06454 149.1
[M]+ 216.08932 143.6
[M]- 216.09042 143.6
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

patents stripe