CID 98811

28936-94-9

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂

SMILES

C1CN(CCC12C(=O)NC(=O)N2)CC3=CC=CC=C3

InChI

InChI=1S/C14H17N3O2/c18-12-14(16-13(19)15-12)6-8-17(9-7-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16,18,19)

InChIKey

ISFXLJGTXHSNDU-UHFFFAOYSA-N

Compound name

8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 259.13208 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.139356	161.9
[M+Na]+	282.121298	167.8
[M-H]-	258.124804	163.3
[M+NH4]+	277.165903	176.7
[M+K]+	298.095238	162.1
[M+H-H2O]+	242.129340	152.7
[M+HCOO]-	304.130281	175.0
[M+CH3COO]-	318.145931	171.0
[M+Na-2H]-	280.106746	163.6
[M]+	259.13153142	153.2
[M]-	259.13262858	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe