CID 137321798

5-ethyl-2-imino-5-(3-methylbut-2-enyl)-1,3-diazinane-4,6-dione

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CCC1(C(=O)NC(=N)NC1=O)CC=C(C)C
InChI
InChI=1S/C11H17N3O2/c1-4-11(6-5-7(2)3)8(15)13-10(12)14-9(11)16/h5H,4,6H2,1-3H3,(H3,12,13,14,15,16)
InChIKey
WGGNBWUUWRPJTF-UHFFFAOYSA-N
Compound name
5-ethyl-2-imino-5-(3-methylbut-2-enyl)-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13208 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 152.0
[M+Na]+ 246.121298 158.5
[M-H]- 222.124804 150.0
[M+NH4]+ 241.165903 168.2
[M+K]+ 262.095238 154.2
[M+H-H2O]+ 206.129340 146.3
[M+HCOO]- 268.130281 167.2
[M+CH3COO]- 282.145931 187.9
[M+Na-2H]- 244.106746 153.6
[M]+ 223.13153142 145.8
[M]- 223.13262858 145.8
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.