CID 606974

5-butan-2-yl-1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CCC(C)C1(C(=O)N(C(=O)N(C1=O)C)C)CC=C
InChI
InChI=1S/C13H20N2O3/c1-6-8-13(9(3)7-2)10(16)14(4)12(18)15(5)11(13)17/h6,9H,1,7-8H2,2-5H3
InChIKey
CDKJETHMMUVSNV-UHFFFAOYSA-N
Compound name
5-butan-2-yl-1,3-dimethyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 153.3
[M+Na]+ 275.13662 162.4
[M-H]- 251.14012 154.6
[M+NH4]+ 270.18122 170.7
[M+K]+ 291.11056 160.1
[M+H-H2O]+ 235.14466 147.8
[M+HCOO]- 297.14560 170.1
[M+CH3COO]- 311.16125 199.1
[M+Na-2H]- 273.12207 153.9
[M]+ 252.14685 154.9
[M]- 252.14795 154.9
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.