CID 37273

35824-91-0

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₃

SMILES

C1CCC(CC1)N2C(=O)CC(=O)N(C2=O)C3CCCCC3

InChI

InChI=1S/C16H24N2O3/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h12-13H,1-11H2

InChIKey

PRZQJMWBZWAUKW-UHFFFAOYSA-N

Compound name

1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 453
Patents: 292.17868 Da
Monoisotopic Mass: 2.8
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]+	293.185956	172.2
[M+Na]+	315.167898	174.2
[M-H]-	291.171404	176.8
[M+NH4]+	310.212503	183.8
[M+K]+	331.141838	170.7
[M+H-H2O]+	275.175940	161.9
[M+HCOO]-	337.176881	182.5
[M+CH3COO]-	351.192531	201.4
[M+Na-2H]-	313.153346	169.5
[M]+	292.17813142	161.1
[M]-	292.17922858	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe