CID 3040293

Brn 0684528

Structural Information

Molecular Formula

C₁₈H₂₆ClN₃O

SMILES

CC1CN(C(=O)N1C(C)CN2CC(C2)(C)C)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H26ClN3O/c1-13(9-20-11-18(3,4)12-20)22-14(2)10-21(17(22)23)16-7-5-6-15(19)8-16/h5-8,13-14H,9-12H2,1-4H3

InChIKey

OPLVTJOCGWGFBR-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-3-[1-(3,3-dimethylazetidin-1-yl)propan-2-yl]-4-methylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 335.17645 Da
Monoisotopic Mass: 3.6
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]+	336.183726	177.2
[M+Na]+	358.165668	184.5
[M-H]-	334.169174	182.5
[M+NH4]+	353.210273	185.7
[M+K]+	374.139608	181.7
[M+H-H2O]+	318.173710	164.1
[M+HCOO]-	380.174651	187.4
[M+CH3COO]-	394.190301	214.3
[M+Na-2H]-	356.151116	174.1
[M]+	335.17590142	187.0
[M]-	335.17699858	187.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe