CID 2806584

Maybridge3_001265

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₂

SMILES

CN1C(=O)CN(C(=O)C2=CC=CC=C21)C3CCCCC3

InChI

InChI=1S/C16H20N2O2/c1-17-14-10-6-5-9-13(14)16(20)18(11-15(17)19)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3

InChIKey

OGWXMLBQWRVGHL-UHFFFAOYSA-N

Compound name

4-cyclohexyl-1-methyl-3H-1,4-benzodiazepine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 272.15247 Da
Monoisotopic Mass: 2.4
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]+	273.159746	162.6
[M+Na]+	295.141688	167.6
[M-H]-	271.145194	167.7
[M+NH4]+	290.186293	176.1
[M+K]+	311.115628	167.5
[M+H-H2O]+	255.149730	153.9
[M+HCOO]-	317.150671	176.6
[M+CH3COO]-	331.166321	172.2
[M+Na-2H]-	293.127136	164.5
[M]+	272.15192142	155.2
[M]-	272.15301858	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.