CID 3040293

Brn 0684528

Structural Information

Molecular Formula
C18H26ClN3O
SMILES
CC1CN(C(=O)N1C(C)CN2CC(C2)(C)C)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H26ClN3O/c1-13(9-20-11-18(3,4)12-20)22-14(2)10-21(17(22)23)16-7-5-6-15(19)8-16/h5-8,13-14H,9-12H2,1-4H3
InChIKey
OPLVTJOCGWGFBR-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-[1-(3,3-dimethylazetidin-1-yl)propan-2-yl]-4-methylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.17645 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18373 177.2
[M+Na]+ 358.16567 184.5
[M-H]- 334.16917 182.5
[M+NH4]+ 353.21027 185.7
[M+K]+ 374.13961 181.7
[M+H-H2O]+ 318.17371 164.1
[M+HCOO]- 380.17465 187.4
[M+CH3COO]- 394.19030 214.3
[M+Na-2H]- 356.15112 174.1
[M]+ 335.17590 187.0
[M]- 335.17700 187.0
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