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]+ 269.149576 160.7
[M+Na]+ 291.131518 166.7
[M-H]- 267.135024 158.4
[M+NH4]+ 286.176123 175.1
[M+K]+ 307.105458 163.7
[M+H-H2O]+ 251.139560 155.0
[M+HCOO]- 313.140501 173.6
[M+CH3COO]- 327.156151 194.7
[M+Na-2H]- 289.116966 160.2
[M]+ 268.14175142 158.5
[M]- 268.14284858 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.