CID 3040292

51940-83-1

Structural Information

Molecular Formula

C₂₂H₃₄ClN₃O

SMILES

CCCC1(CN(C1)CC(C)N2C(CN(C2=O)C3=CC=C(C=C3)Cl)C)CCC

InChI

InChI=1S/C22H34ClN3O/c1-5-11-22(12-6-2)15-24(16-22)13-17(3)26-18(4)14-25(21(26)27)20-9-7-19(23)8-10-20/h7-10,17-18H,5-6,11-16H2,1-4H3

InChIKey

NJLOJDTUJWWXQL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 391.23904 Da
Monoisotopic Mass: 5.4
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]+	392.246316	195.1
[M+Na]+	414.228258	200.5
[M-H]-	390.231764	199.5
[M+NH4]+	409.272863	201.2
[M+K]+	430.202198	196.9
[M+H-H2O]+	374.236300	181.1
[M+HCOO]-	436.237241	203.8
[M+CH3COO]-	450.252891	225.5
[M+Na-2H]-	412.213706	189.9
[M]+	391.23849142	206.1
[M]-	391.23958858	206.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe