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]+ 322.139756 169.8
[M+Na]+ 344.121698 179.5
[M-H]- 320.125204 171.9
[M+NH4]+ 339.166303 183.8
[M+K]+ 360.095638 175.5
[M+H-H2O]+ 304.129740 163.2
[M+HCOO]- 366.130681 185.2
[M+CH3COO]- 380.146331 207.0
[M+Na-2H]- 342.107146 167.7
[M]+ 321.13193142 171.0
[M]- 321.13302858 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.