CID 35352

Brn 0618277

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CC(=O)CC1(C(=O)N(C(=O)N(C1=O)C)C)CC=C
InChI
InChI=1S/C12H16N2O4/c1-5-6-12(7-8(2)15)9(16)13(3)11(18)14(4)10(12)17/h5H,1,6-7H2,2-4H3
InChIKey
AEAVYMBLNMJGGD-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-(2-oxopropyl)-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

252.11101 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.118286 149.9
[M+Na]+ 275.100228 159.6
[M-H]- 251.103734 151.3
[M+NH4]+ 270.144833 167.1
[M+K]+ 291.074168 157.5
[M+H-H2O]+ 235.108270 144.5
[M+HCOO]- 297.109211 167.4
[M+CH3COO]- 311.124861 197.4
[M+Na-2H]- 273.085676 151.1
[M]+ 252.11046142 151.8
[M]- 252.11155858 151.8
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.