CID 1550957

(5s)-5-[(1h-indol-3-yl)methyl]imidazolidine-2,4-dione

Structural Information

Molecular Formula
C12H11N3O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@H]3C(=O)NC(=O)N3
InChI
InChI=1S/C12H11N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13H,5H2,(H2,14,15,16,17)/t10-/m0/s1
InChIKey
RUUREKIGAKIKIL-JTQLQIEISA-N
Compound name
(5S)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

229.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.092406 150.2
[M+Na]+ 252.074348 159.7
[M-H]- 228.077854 150.9
[M+NH4]+ 247.118953 166.8
[M+K]+ 268.048288 153.3
[M+H-H2O]+ 212.082390 142.9
[M+HCOO]- 274.083331 167.6
[M+CH3COO]- 288.098981 161.4
[M+Na-2H]- 250.059796 152.2
[M]+ 229.08458142 146.4
[M]- 229.08567858 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe