CID 49170

67050-19-5

Structural Information

Molecular Formula
C11H18N2O4
SMILES
CCCCOCC1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C11H18N2O4/c1-3-5-6-17-7-11(4-2)8(14)12-10(16)13-9(11)15/h3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKey
RUDRTTWECOKWJP-UHFFFAOYSA-N
Compound name
5-(butoxymethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12666 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13394 156.8
[M+Na]+ 265.11588 165.4
[M+NH4]+ 260.16048 162.3
[M+K]+ 281.08982 159.3
[M-H]- 241.11938 154.0
[M+Na-2H]- 263.10133 158.8
[M]+ 242.12611 156.8
[M]- 242.12721 156.8
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.