CID 3040290

2-imidazolidinone, 1-(3-chlorophenyl)-3-(2-(3,3-dibutyl-1-azetidinyl)ethyl)-

Structural Information

Molecular Formula
C22H34ClN3O
SMILES
CCCCC1(CN(C1)CCN2CCN(C2=O)C3=CC(=CC=C3)Cl)CCCC
InChI
InChI=1S/C22H34ClN3O/c1-3-5-10-22(11-6-4-2)17-24(18-22)12-13-25-14-15-26(21(25)27)20-9-7-8-19(23)16-20/h7-9,16H,3-6,10-15,17-18H2,1-2H3
InChIKey
DLJCVQNQFFCFKO-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-[2-(3,3-dibutylazetidin-1-yl)ethyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

391.23904 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.246316 193.7
[M+Na]+ 414.228258 198.6
[M-H]- 390.231764 197.6
[M+NH4]+ 409.272863 199.6
[M+K]+ 430.202198 194.4
[M+H-H2O]+ 374.236300 179.1
[M+HCOO]- 436.237241 203.4
[M+CH3COO]- 450.252891 223.5
[M+Na-2H]- 412.213706 190.3
[M]+ 391.23849142 204.8
[M]- 391.23958858 204.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe