CID 48729

66968-29-4

Structural Information

Molecular Formula
C14H24N2O3
SMILES
CCCCCC(CC)C1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C14H24N2O3/c1-4-7-8-9-10(5-2)14(6-3)11(17)15-13(19)16-12(14)18/h10H,4-9H2,1-3H3,(H2,15,16,17,18,19)
InChIKey
PZMVYKQZXICMSY-UHFFFAOYSA-N
Compound name
5-ethyl-5-octan-3-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.17868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.18596 164.5
[M+Na]+ 291.16790 170.0
[M-H]- 267.17140 161.8
[M+NH4]+ 286.21250 179.1
[M+K]+ 307.14184 166.3
[M+H-H2O]+ 251.17594 158.3
[M+HCOO]- 313.17688 177.6
[M+CH3COO]- 327.19253 195.4
[M+Na-2H]- 289.15335 164.3
[M]+ 268.17813 162.4
[M]- 268.17923 162.4
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

No patent data available for this compound.