CID 208733

Brn 0306806

Structural Information

Molecular Formula
C14H22N2O5
SMILES
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC(C)OC(=O)C
InChI
InChI=1S/C14H22N2O5/c1-5-6-8(2)14(7-9(3)21-10(4)17)11(18)15-13(20)16-12(14)19/h8-9H,5-7H2,1-4H3,(H2,15,16,18,19,20)
InChIKey
WWEAFJWITUMUJE-UHFFFAOYSA-N
Compound name
1-(2,4,6-trioxo-5-pentan-2-yl-1,3-diazinan-5-yl)propan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.15286 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16014 167.1
[M+Na]+ 321.14208 172.3
[M-H]- 297.14558 164.6
[M+NH4]+ 316.18668 180.2
[M+K]+ 337.11602 170.3
[M+H-H2O]+ 281.15012 161.3
[M+HCOO]- 343.15106 178.9
[M+CH3COO]- 357.16671 200.3
[M+Na-2H]- 319.12753 165.2
[M]+ 298.15231 166.0
[M]- 298.15341 166.0
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.