CID 416593

Rri5fwj728

Structural Information

Molecular Formula
C17H21N3O3
SMILES
C1CCN(CC1)CCC2(C(=O)NC(=O)NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O3/c21-14-17(13-7-3-1-4-8-13,15(22)19-16(23)18-14)9-12-20-10-5-2-6-11-20/h1,3-4,7-8H,2,5-6,9-12H2,(H2,18,19,21,22,23)
InChIKey
IEJANWYSGVNAOH-UHFFFAOYSA-N
Compound name
5-phenyl-5-(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1583 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16558 177.7
[M+Na]+ 338.14752 181.6
[M-H]- 314.15102 179.2
[M+NH4]+ 333.19212 187.5
[M+K]+ 354.12146 175.6
[M+H-H2O]+ 298.15556 167.1
[M+HCOO]- 360.15650 187.7
[M+CH3COO]- 374.17215 199.6
[M+Na-2H]- 336.13297 178.6
[M]+ 315.15775 168.1
[M]- 315.15885 168.1
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

patents stripe