CID 16212234

332855-88-6

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₂

SMILES

C[C@@]1(C(=O)N(C(=O)N1)NC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2/c1-16(12-8-4-2-5-9-12)14(20)19(15(21)17-16)18-13-10-6-3-7-11-13/h2-11,18H,1H3,(H,17,21)/t16-/m0/s1

InChIKey

KTUBSXMBPVHJQY-INIZCTEOSA-N

Compound name

(5S)-3-anilino-5-methyl-5-phenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 7
Patents: 281.11642 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	282.12370	163.5
[M+Na]+	304.10564	171.4
[M-H]-	280.10914	169.8
[M+NH4]+	299.15024	179.1
[M+K]+	320.07958	165.8
[M+H-H2O]+	264.11368	154.5
[M+HCOO]-	326.11462	184.3
[M+CH3COO]-	340.13027	174.7
[M+Na-2H]-	302.09109	167.4
[M]+	281.11587	160.1
[M]-	281.11697	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe