CID 121376

Brn 1154080

Structural Information

Molecular Formula
C14H19N3O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC#CCN2CCOCC2
InChI
InChI=1S/C14H19N3O4/c1-2-14(11(18)15-13(20)16-12(14)19)5-3-4-6-17-7-9-21-10-8-17/h2,5-10H2,1H3,(H2,15,16,18,19,20)
InChIKey
RFLLCDDAHOSXFS-UHFFFAOYSA-N
Compound name
5-ethyl-5-(4-morpholin-4-ylbut-2-ynyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13754 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.144816 163.4
[M+Na]+ 316.126758 170.2
[M-H]- 292.130264 160.8
[M+NH4]+ 311.171363 172.0
[M+K]+ 332.100698 165.1
[M+H-H2O]+ 276.134800 148.7
[M+HCOO]- 338.135741 168.1
[M+CH3COO]- 352.151391 200.8
[M+Na-2H]- 314.112206 164.0
[M]+ 293.13699142 151.9
[M]- 293.13808858 151.9
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.