CID 3051518

67466-21-1

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CCOC(=O)CN1C(=O)C(C(=O)NC1=O)(C)CC=C
InChI
InChI=1S/C12H16N2O5/c1-4-6-12(3)9(16)13-11(18)14(10(12)17)7-8(15)19-5-2/h4H,1,5-7H2,2-3H3,(H,13,16,18)
InChIKey
MFPMUZNIXVQCJX-UHFFFAOYSA-N
Compound name
ethyl 2-(5-methyl-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 155.6
[M+Na]+ 291.09515 163.8
[M-H]- 267.09865 155.1
[M+NH4]+ 286.13975 171.0
[M+K]+ 307.06909 161.3
[M+H-H2O]+ 251.10319 149.8
[M+HCOO]- 313.10413 171.7
[M+CH3COO]- 327.11978 195.3
[M+Na-2H]- 289.08060 156.9
[M]+ 268.10538 156.6
[M]- 268.10648 156.6
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.