CID 50673

Brn 0277286

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)C(=C)OCCC(C)C
InChI
InChI=1S/C13H20N2O4/c1-5-13(9(4)19-7-6-8(2)3)10(16)14-12(18)15-11(13)17/h8H,4-7H2,1-3H3,(H2,14,15,16,17,18)
InChIKey
YYZIDSMCIRHLEC-UHFFFAOYSA-N
Compound name
5-ethyl-5-[1-(3-methylbutoxy)ethenyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.1423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 160.7
[M+Na]+ 291.13152 166.7
[M-H]- 267.13502 158.4
[M+NH4]+ 286.17612 175.1
[M+K]+ 307.10546 163.7
[M+H-H2O]+ 251.13956 155.0
[M+HCOO]- 313.14050 173.6
[M+CH3COO]- 327.15615 194.7
[M+Na-2H]- 289.11697 160.2
[M]+ 268.14175 158.5
[M]- 268.14285 158.5
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.