CID 14384

Brn 0926794

Structural Information

Molecular Formula
C14H19N3O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CC#CCN2CCCC2
InChI
InChI=1S/C14H19N3O3/c1-2-14(11(18)15-13(20)16-12(14)19)7-3-4-8-17-9-5-6-10-17/h2,5-10H2,1H3,(H2,15,16,18,19,20)
InChIKey
ZKEHPXDIQKWNOW-UHFFFAOYSA-N
Compound name
5-ethyl-5-(4-pyrrolidin-1-ylbut-2-ynyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14264 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14992 162.7
[M+Na]+ 300.13186 170.4
[M-H]- 276.13536 160.0
[M+NH4]+ 295.17646 174.9
[M+K]+ 316.10580 163.5
[M+H-H2O]+ 260.13990 148.6
[M+HCOO]- 322.14084 170.0
[M+CH3COO]- 336.15649 198.0
[M+Na-2H]- 298.11731 161.1
[M]+ 277.14209 151.2
[M]- 277.14319 151.2
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.