CID 3051516

Hexahydro-5-allyl-5-isopropyl-2,4,6-trioxo-1-pyrimidineacetic acid ethyl ester sodium salt

Structural Information

Molecular Formula
C14H20N2O5
SMILES
CCOC(=O)CN1C(=O)C(C(=O)NC1=O)(CC=C)C(C)C
InChI
InChI=1S/C14H20N2O5/c1-5-7-14(9(3)4)11(18)15-13(20)16(12(14)19)8-10(17)21-6-2/h5,9H,1,6-8H2,2-4H3,(H,15,18,20)
InChIKey
ADGLCCATILGHJS-UHFFFAOYSA-N
Compound name
ethyl 2-(2,4,6-trioxo-5-propan-2-yl-5-prop-2-enyl-1,3-diazinan-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.144476 163.7
[M+Na]+ 319.126418 170.8
[M-H]- 295.129924 162.9
[M+NH4]+ 314.171023 177.9
[M+K]+ 335.100358 168.5
[M+H-H2O]+ 279.134460 157.9
[M+HCOO]- 341.135401 178.2
[M+CH3COO]- 355.151051 202.2
[M+Na-2H]- 317.111866 162.9
[M]+ 296.13665142 164.8
[M]- 296.13774858 164.8
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.