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]+ 392.24632 193.7
[M+Na]+ 414.22826 198.6
[M-H]- 390.23176 197.6
[M+NH4]+ 409.27286 199.6
[M+K]+ 430.20220 194.4
[M+H-H2O]+ 374.23630 179.1
[M+HCOO]- 436.23724 203.4
[M+CH3COO]- 450.25289 223.5
[M+Na-2H]- 412.21371 190.3
[M]+ 391.23849 204.8
[M]- 391.23959 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