CID 46872626

1240308-45-5

Structural Information

Molecular Formula
C18H17Cl2NO3
SMILES
C1C(CN1CC2=CC=C(C=C2)OCC3=CC(=C(C=C3)Cl)Cl)C(=O)O
InChI
InChI=1S/C18H17Cl2NO3/c19-16-6-3-13(7-17(16)20)11-24-15-4-1-12(2-5-15)8-21-9-14(10-21)18(22)23/h1-7,14H,8-11H2,(H,22,23)
InChIKey
WAAWETUDFSIYSD-UHFFFAOYSA-N
Compound name
1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

365.05856 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.06584 174.1
[M+Na]+ 388.04778 185.4
[M+NH4]+ 383.09238 178.0
[M+K]+ 404.02172 179.2
[M-H]- 364.05128 175.7
[M+Na-2H]- 386.03323 179.9
[M]+ 365.05801 175.7
[M]- 365.05911 175.7
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