CID 135463949

Mls000043186

Structural Information

Molecular Formula
C17H23N3O3
SMILES
CCCCC1(C(=NC2=CC=C(C=C2)OC)NC(=O)NC1=O)CC
InChI
InChI=1S/C17H23N3O3/c1-4-6-11-17(5-2)14(19-16(22)20-15(17)21)18-12-7-9-13(23-3)10-8-12/h7-10H,4-6,11H2,1-3H3,(H2,18,19,20,21,22)
InChIKey
UJGCCRPWGDSHRC-UHFFFAOYSA-N
Compound name
5-butyl-5-ethyl-6-(4-methoxyphenyl)imino-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
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 175.8
[M+Na]+ 340.16317 182.1
[M-H]- 316.16667 177.9
[M+NH4]+ 335.20777 188.6
[M+K]+ 356.13711 177.2
[M+H-H2O]+ 300.17121 167.2
[M+HCOO]- 362.17215 192.8
[M+CH3COO]- 376.18780 207.5
[M+Na-2H]- 338.14862 177.9
[M]+ 317.17340 174.1
[M]- 317.17450 174.1
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

No patent data available for this compound.