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

3
Patents

252.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 153.3
[M+Na]+ 275.136618 162.4
[M-H]- 251.140124 154.6
[M+NH4]+ 270.181223 170.7
[M+K]+ 291.110558 160.1
[M+H-H2O]+ 235.144660 147.8
[M+HCOO]- 297.145601 170.1
[M+CH3COO]- 311.161251 199.1
[M+Na-2H]- 273.122066 153.9
[M]+ 252.14685142 154.9
[M]- 252.14794858 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

patents stripe