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

11
Patents

216.08987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 145.2
[M+Na]+ 239.079088 154.2
[M-H]- 215.082594 148.8
[M+NH4]+ 234.123693 163.0
[M+K]+ 255.053028 150.2
[M+H-H2O]+ 199.087130 138.5
[M+HCOO]- 261.088071 164.3
[M+CH3COO]- 275.103721 157.7
[M+Na-2H]- 237.064536 149.1
[M]+ 216.08932142 143.6
[M]- 216.09041858 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