CID 1550957

40856-80-2

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

0
Patents

229.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 151.0
[M+Na]+ 252.07435 162.2
[M+NH4]+ 247.11895 157.3
[M+K]+ 268.04829 160.6
[M-H]- 228.07785 150.9
[M+Na-2H]- 250.05980 154.9
[M]+ 229.08458 152.1
[M]- 229.08568 152.1
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

No patent data available for this compound.