CID 14409733

1676-74-0

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@H]3C(=O)OC(=O)N3
InChI
InChI=1S/C12H10N2O3/c15-11-10(14-12(16)17-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13H,5H2,(H,14,16)/t10-/m0/s1
InChIKey
PZEKHTMDKRBNKY-JTQLQIEISA-N
Compound name
(4S)-4-(1H-indol-3-ylmethyl)-1,3-oxazolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 147.6
[M+Na]+ 253.05836 157.6
[M-H]- 229.06186 151.6
[M+NH4]+ 248.10296 164.9
[M+K]+ 269.03230 153.6
[M+H-H2O]+ 213.06640 141.2
[M+HCOO]- 275.06734 167.0
[M+CH3COO]- 289.08299 160.3
[M+Na-2H]- 251.04381 150.9
[M]+ 230.06859 147.1
[M]- 230.06969 147.1
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.