CID 215195

Brn 0717938

Structural Information

Molecular Formula
C17H23N3O6
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CCOCCN2C(=O)C=C(C2=O)C)CC
InChI
InChI=1S/C17H23N3O6/c1-4-17(5-2)14(23)18-16(25)20(15(17)24)7-9-26-8-6-19-12(21)10-11(3)13(19)22/h10H,4-9H2,1-3H3,(H,18,23,25)
InChIKey
WVTYKMDVHIFOGT-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-[2-[2-(3-methyl-2,5-dioxopyrrol-1-yl)ethoxy]ethyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1587 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.16598 180.4
[M+Na]+ 388.14792 188.9
[M-H]- 364.15142 182.0
[M+NH4]+ 383.19252 192.4
[M+K]+ 404.12186 185.1
[M+H-H2O]+ 348.15596 173.3
[M+HCOO]- 410.15690 195.3
[M+CH3COO]- 424.17255 215.2
[M+Na-2H]- 386.13337 177.7
[M]+ 365.15815 183.7
[M]- 365.15925 183.7
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.