CID 3063036

99696-88-5

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCCC(C)C1(C(=O)N(C(=O)N(C1=O)CC=C)CC=C)CC
InChI
InChI=1S/C17H26N2O3/c1-6-10-13(5)17(9-4)14(20)18(11-7-2)16(22)19(12-8-3)15(17)21/h7-8,13H,2-3,6,9-12H2,1,4-5H3
InChIKey
QRZXQPATUWXGQM-UHFFFAOYSA-N
Compound name
5-ethyl-5-pentan-2-yl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.201616 169.3
[M+Na]+ 329.183558 176.9
[M-H]- 305.187064 169.7
[M+NH4]+ 324.228163 184.3
[M+K]+ 345.157498 173.1
[M+H-H2O]+ 289.191600 163.1
[M+HCOO]- 351.192541 184.9
[M+CH3COO]- 365.208191 210.2
[M+Na-2H]- 327.169006 167.8
[M]+ 306.19379142 171.5
[M]- 306.19488858 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.