CID 202516

Sch 3901

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₃

SMILES

CCC1(C(=O)NC(=O)NC1=O)CN2CCCCC2

InChI

InChI=1S/C12H19N3O3/c1-2-12(8-15-6-4-3-5-7-15)9(16)13-11(18)14-10(12)17/h2-8H2,1H3,(H2,13,14,16,17,18)

InChIKey

SOFUMLGSWXNMKF-UHFFFAOYSA-N

Compound name

5-ethyl-5-(piperidin-1-ylmethyl)-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 253.14264 Da
Monoisotopic Mass: 0.5
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]+	254.149916	161.6
[M+Na]+	276.131858	166.5
[M-H]-	252.135364	160.3
[M+NH4]+	271.176463	174.6
[M+K]+	292.105798	162.4
[M+H-H2O]+	236.139900	153.3
[M+HCOO]-	298.140841	172.0
[M+CH3COO]-	312.156491	188.5
[M+Na-2H]-	274.117306	162.7
[M]+	253.14209142	153.0
[M]-	253.14318858	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe