CID 72155

Zetidoline

Structural Information

Molecular Formula
C16H22ClN3O
SMILES
CC1(CN(C1)CCN2CCN(C2=O)C3=CC(=CC=C3)Cl)C
InChI
InChI=1S/C16H22ClN3O/c1-16(2)11-18(12-16)6-7-19-8-9-20(15(19)21)14-5-3-4-13(17)10-14/h3-5,10H,6-9,11-12H2,1-2H3
InChIKey
AHDBQMJRRXVRDY-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-[2-(3,3-dimethylazetidin-1-yl)ethyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

31
References

91
Patents

307.14514 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.15242 167.2
[M+Na]+ 330.13436 174.8
[M-H]- 306.13786 172.3
[M+NH4]+ 325.17896 176.5
[M+K]+ 346.10830 171.9
[M+H-H2O]+ 290.14240 153.8
[M+HCOO]- 352.14334 179.0
[M+CH3COO]- 366.15899 206.6
[M+Na-2H]- 328.11981 166.9
[M]+ 307.14459 176.4
[M]- 307.14569 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe