CID 3078024

2-(3-chloro-2-(4-(dimethylamino)phenyl)-4-oxo-1-azetidinyl)benzoic acid

Structural Information

Molecular Formula
C18H17ClN2O3
SMILES
CN(C)C1=CC=C(C=C1)C2C(C(=O)N2C3=CC=CC=C3C(=O)O)Cl
InChI
InChI=1S/C18H17ClN2O3/c1-20(2)12-9-7-11(8-10-12)16-15(19)17(22)21(16)14-6-4-3-5-13(14)18(23)24/h3-10,15-16H,1-2H3,(H,23,24)
InChIKey
BIJAFEOWHXENMR-UHFFFAOYSA-N
Compound name
2-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.09277 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.100046 176.1
[M+Na]+ 367.081988 183.2
[M-H]- 343.085494 184.3
[M+NH4]+ 362.126593 182.3
[M+K]+ 383.055928 181.8
[M+H-H2O]+ 327.090030 162.0
[M+HCOO]- 389.090971 191.3
[M+CH3COO]- 403.106621 218.1
[M+Na-2H]- 365.067436 175.6
[M]+ 344.09222142 187.7
[M]- 344.09331858 187.7
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

No patent data available for this compound.