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]+ 329.18596 180.3
[M+Na]+ 351.16790 184.2
[M-H]- 327.17140 183.4
[M+NH4]+ 346.21250 193.0
[M+K]+ 367.14184 177.9
[M+H-H2O]+ 311.17594 171.2
[M+HCOO]- 373.17688 193.4
[M+CH3COO]- 387.19253 201.9
[M+Na-2H]- 349.15335 178.6
[M]+ 328.17813 173.1
[M]- 328.17923 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.