CID 215194

35189-14-1

Structural Information

Molecular Formula
C15H19N3O5
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CCN2C(=O)C=C(C2=O)C)CC
InChI
InChI=1S/C15H19N3O5/c1-4-15(5-2)12(21)16-14(23)18(13(15)22)7-6-17-10(19)8-9(3)11(17)20/h8H,4-7H2,1-3H3,(H,16,21,23)
InChIKey
COIPJCGZRZRPFH-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.13248 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13976 169.8
[M+Na]+ 344.12170 179.5
[M-H]- 320.12520 171.9
[M+NH4]+ 339.16630 183.8
[M+K]+ 360.09564 175.5
[M+H-H2O]+ 304.12974 163.2
[M+HCOO]- 366.13068 185.2
[M+CH3COO]- 380.14633 207.0
[M+Na-2H]- 342.10715 167.7
[M]+ 321.13193 171.0
[M]- 321.13303 171.0
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.