CID 3078023

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

Structural Information

Molecular Formula
C17H14ClNO4
SMILES
COC1=CC=CC=C1C2C(C(=O)N2C3=CC=CC=C3C(=O)O)Cl
InChI
InChI=1S/C17H14ClNO4/c1-23-13-9-5-3-7-11(13)15-14(18)16(20)19(15)12-8-4-2-6-10(12)17(21)22/h2-9,14-15H,1H3,(H,21,22)
InChIKey
ASZAEPHBOWOTBP-UHFFFAOYSA-N
Compound name
2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.06113 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.06841 167.2
[M+Na]+ 354.05035 175.5
[M-H]- 330.05385 174.4
[M+NH4]+ 349.09495 173.7
[M+K]+ 370.02429 173.6
[M+H-H2O]+ 314.05839 154.0
[M+HCOO]- 376.05933 181.6
[M+CH3COO]- 390.07498 209.3
[M+Na-2H]- 352.03580 168.0
[M]+ 331.06058 179.4
[M]- 331.06168 179.4
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.