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]+ 345.10005 176.1
[M+Na]+ 367.08199 183.2
[M-H]- 343.08549 184.3
[M+NH4]+ 362.12659 182.3
[M+K]+ 383.05593 181.8
[M+H-H2O]+ 327.09003 162.0
[M+HCOO]- 389.09097 191.3
[M+CH3COO]- 403.10662 218.1
[M+Na-2H]- 365.06744 175.6
[M]+ 344.09222 187.7
[M]- 344.09332 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.