CID 13306

846-26-4

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₃

SMILES

C1CCC(CC1)C2C(=O)NC(=O)N(C2=O)C3CCCCC3

InChI

InChI=1S/C16H24N2O3/c19-14-13(11-7-3-1-4-8-11)15(20)18(16(21)17-14)12-9-5-2-6-10-12/h11-13H,1-10H2,(H,17,19,21)

InChIKey

BEZDXMRCBXXCJG-UHFFFAOYSA-N

Compound name

1,5-dicyclohexyl-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.17868 Da
Monoisotopic Mass: 3.6
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]+	293.18596	172.9
[M+Na]+	315.16790	174.5
[M-H]-	291.17140	176.1
[M+NH4]+	310.21250	183.7
[M+K]+	331.14184	170.0
[M+H-H2O]+	275.17594	163.0
[M+HCOO]-	337.17688	181.7
[M+CH3COO]-	351.19253	199.1
[M+Na-2H]-	313.15335	169.8
[M]+	292.17813	160.0
[M]-	292.17923	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe