CID 13972

1045-95-0

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CC(C)C1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C19H24N2O3/c1-13(2)16-17(22)20(14-9-5-3-6-10-14)19(24)21(18(16)23)15-11-7-4-8-12-15/h3,5-6,9-10,13,15-16H,4,7-8,11-12H2,1-2H3
InChIKey
ZUZOWTTZFWBVCD-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-phenyl-5-propan-2-yl-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

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.185956 179.7
[M+Na]+ 351.167898 184.1
[M-H]- 327.171404 185.5
[M+NH4]+ 346.212503 190.3
[M+K]+ 367.141838 179.8
[M+H-H2O]+ 311.175940 169.3
[M+HCOO]- 373.176881 192.4
[M+CH3COO]- 387.192531 211.2
[M+Na-2H]- 349.153346 176.8
[M]+ 328.17813142 173.7
[M]- 328.17922858 173.7
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.