CID 135463951

Brn 5604205

Structural Information

Molecular Formula
C17H23N3O3
SMILES
CCCC1(C(=NC2=CC=C(C=C2)OC)NC(=O)NC1=O)CCC
InChI
InChI=1S/C17H23N3O3/c1-4-10-17(11-5-2)14(19-16(22)20-15(17)21)18-12-6-8-13(23-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H2,18,19,20,21,22)
InChIKey
JAWPKBJNAJGNJC-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)imino-5,5-dipropyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.17395 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18123 177.0
[M+Na]+ 340.16317 187.5
[M+NH4]+ 335.20777 183.2
[M+K]+ 356.13711 179.4
[M-H]- 316.16667 178.3
[M+Na-2H]- 338.14862 182.4
[M]+ 317.17340 178.6
[M]- 317.17450 178.6
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.