CID 13973

1045-96-1

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C19H24N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h3,5-6,10-11,15-16H,2,4,7-9,12-13H2,1H3
InChIKey
BUTYVUKCJWGMOG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-phenyl-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.17868 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.185956 180.5
[M+Na]+ 351.167898 185.2
[M-H]- 327.171404 186.1
[M+NH4]+ 346.212503 191.1
[M+K]+ 367.141838 180.3
[M+H-H2O]+ 311.175940 169.8
[M+HCOO]- 373.176881 194.1
[M+CH3COO]- 387.192531 210.3
[M+Na-2H]- 349.153346 178.6
[M]+ 328.17813142 175.1
[M]- 328.17922858 175.1
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.