CID 197732

1023-85-4

Structural Information

Molecular Formula

C₁₄H₁₉N₃O

SMILES

CN1CN(C2(C1=O)CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C14H19N3O/c1-16-11-17(12-5-3-2-4-6-12)14(13(16)18)7-9-15-10-8-14/h2-6,15H,7-11H2,1H3

InChIKey

IGPACMIJADAUNA-UHFFFAOYSA-N

Compound name

3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 245.15282 Da
Monoisotopic Mass: 1.4
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]+	246.16010	159.4
[M+Na]+	268.14204	165.5
[M-H]-	244.14554	162.1
[M+NH4]+	263.18664	175.6
[M+K]+	284.11598	160.7
[M+H-H2O]+	228.15008	149.8
[M+HCOO]-	290.15102	173.6
[M+CH3COO]-	304.16667	169.2
[M+Na-2H]-	266.12749	161.4
[M]+	245.15227	151.7
[M]-	245.15337	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe