CID 213998

Brn 0756849

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₅

SMILES

CCC1(C(=O)N(C(=O)N(C1=O)COC)COC)CC

InChI

InChI=1S/C12H20N2O5/c1-5-12(6-2)9(15)13(7-18-3)11(17)14(8-19-4)10(12)16/h5-8H2,1-4H3

InChIKey

BPVMDQZKUJQQQB-UHFFFAOYSA-N

Compound name

5,5-diethyl-1,3-bis(methoxymethyl)-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 272.1372 Da
Monoisotopic Mass: 0.7
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]+	273.144476	156.5
[M+Na]+	295.126418	165.6
[M-H]-	271.129924	157.7
[M+NH4]+	290.171023	173.0
[M+K]+	311.100358	164.8
[M+H-H2O]+	255.134460	150.5
[M+HCOO]-	317.135401	174.8
[M+CH3COO]-	331.151051	200.3
[M+Na-2H]-	293.111866	158.9
[M]+	272.13665142	161.9
[M]-	272.13774858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe