CID 3039619

50884-86-1

Structural Information

Molecular Formula
C14H24N2O4
SMILES
CCCCOCN1C(=O)C(C(=O)N(C1=O)C)(CC)CC
InChI
InChI=1S/C14H24N2O4/c1-5-8-9-20-10-16-12(18)14(6-2,7-3)11(17)15(4)13(16)19/h5-10H2,1-4H3
InChIKey
RJEBPDNBRDCCJZ-UHFFFAOYSA-N
Compound name
1-(butoxymethyl)-5,5-diethyl-3-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1736 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 162.9
[M+Na]+ 307.16282 171.3
[M-H]- 283.16632 163.7
[M+NH4]+ 302.20742 179.0
[M+K]+ 323.13676 169.5
[M+H-H2O]+ 267.17086 156.6
[M+HCOO]- 329.17180 180.3
[M+CH3COO]- 343.18745 204.1
[M+Na-2H]- 305.14827 164.1
[M]+ 284.17305 167.6
[M]- 284.17415 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe