CID 3077292

4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro(4.5)decan-2-one

Structural Information

Molecular Formula

C₁₇H₂₄N₂O₃

SMILES

CC1(C2(CCN(CC2)CCC3=CC=CC=C3)OC(=O)N1C)O

InChI

InChI=1S/C17H24N2O3/c1-16(21)17(22-15(20)18(16)2)9-12-19(13-10-17)11-8-14-6-4-3-5-7-14/h3-7,21H,8-13H2,1-2H3

InChIKey

CSVUXAAJXDKDJH-UHFFFAOYSA-N

Compound name

4-hydroxy-3,4-dimethyl-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 304.17868 Da
Monoisotopic Mass: 1.9
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]+	305.185956	171.7
[M+Na]+	327.167898	178.5
[M-H]-	303.171404	176.8
[M+NH4]+	322.212503	188.0
[M+K]+	343.141838	175.6
[M+H-H2O]+	287.175940	163.6
[M+HCOO]-	349.176881	185.8
[M+CH3COO]-	363.192531	199.8
[M+Na-2H]-	325.153346	173.9
[M]+	304.17813142	169.0
[M]-	304.17922858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe