CID 77899

Melantonin

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CN1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2O2/c1-18-14(19)16(17-15(18)20,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,20)

InChIKey

LTYDTBHSPIJPEG-UHFFFAOYSA-N

Compound name

3-methyl-5,5-diphenylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 131
Patents: 266.10553 Da
Monoisotopic Mass: 2.3
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]+	267.11281	161.7
[M+Na]+	289.09475	175.8
[M+NH4]+	284.13935	170.6
[M+K]+	305.06869	168.5
[M-H]-	265.09825	165.8
[M+Na-2H]-	287.08020	171.6
[M]+	266.10498	164.9
[M]-	266.10608	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe