CID 19254

Reposal

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C2=CC3CCC(C3)C2
InChI
InChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)
InChIKey
MKELYWOVSPVORM-UHFFFAOYSA-N
Compound name
5-(3-bicyclo[3.2.1]oct-2-enyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

16
Patents

262.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 162.5
[M+Na]+ 285.12096 171.4
[M+NH4]+ 280.16556 170.4
[M+K]+ 301.09490 166.0
[M-H]- 261.12446 161.9
[M+Na-2H]- 283.10641 164.0
[M]+ 262.13119 163.2
[M]- 262.13229 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe