CID 3040291

Brn 0698837

Structural Information

Molecular Formula
C22H34ClN3O
SMILES
CCCC1(CN(C1)CC(C)N2C(CN(C2=O)C3=CC(=CC=C3)Cl)C)CCC
InChI
InChI=1S/C22H34ClN3O/c1-5-10-22(11-6-2)15-24(16-22)13-17(3)26-18(4)14-25(21(26)27)20-9-7-8-19(23)12-20/h7-9,12,17-18H,5-6,10-11,13-16H2,1-4H3
InChIKey
KQGHVTACQRUIRB-UHFFFAOYSA-N
Compound name
1-(3-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.24632 195.1
[M+Na]+ 414.22826 200.5
[M-H]- 390.23176 199.5
[M+NH4]+ 409.27286 201.2
[M+K]+ 430.20220 196.9
[M+H-H2O]+ 374.23630 181.1
[M+HCOO]- 436.23724 203.8
[M+CH3COO]- 450.25289 225.5
[M+Na-2H]- 412.21371 189.9
[M]+ 391.23849 206.1
[M]- 391.23959 206.1
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