CID 48419

66940-71-4

Structural Information

Molecular Formula
C19H24N2O3
SMILES
C1CCC(C1)CCC2(C(=O)NC(=O)NC2=O)CCC3=CC=CC=C3
InChI
InChI=1S/C19H24N2O3/c22-16-19(17(23)21-18(24)20-16,13-11-15-8-4-5-9-15)12-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H2,20,21,22,23,24)
InChIKey
KREKKVFMTNLVQL-UHFFFAOYSA-N
Compound name
5-(2-cyclopentylethyl)-5-(2-phenylethyl)-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.185956 180.3
[M+Na]+ 351.167898 184.2
[M-H]- 327.171404 183.4
[M+NH4]+ 346.212503 193.0
[M+K]+ 367.141838 177.9
[M+H-H2O]+ 311.175940 171.2
[M+HCOO]- 373.176881 193.4
[M+CH3COO]- 387.192531 201.9
[M+Na-2H]- 349.153346 178.6
[M]+ 328.17813142 173.1
[M]- 328.17922858 173.1
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.