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]+ 231.076416 147.6
[M+Na]+ 253.058358 157.6
[M-H]- 229.061864 151.6
[M+NH4]+ 248.102963 164.9
[M+K]+ 269.032298 153.6
[M+H-H2O]+ 213.066400 141.2
[M+HCOO]- 275.067341 167.0
[M+CH3COO]- 289.082991 160.3
[M+Na-2H]- 251.043806 150.9
[M]+ 230.06859142 147.1
[M]- 230.06968858 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.