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]+ 253.11829 149.9
[M+Na]+ 275.10023 159.6
[M-H]- 251.10373 151.3
[M+NH4]+ 270.14483 167.1
[M+K]+ 291.07417 157.5
[M+H-H2O]+ 235.10827 144.5
[M+HCOO]- 297.10921 167.4
[M+CH3COO]- 311.12486 197.4
[M+Na-2H]- 273.08568 151.1
[M]+ 252.11046 151.8
[M]- 252.11156 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.