CID 3071165

87444-09-5

Structural Information

Molecular Formula
C17H15ClN2O4
SMILES
COC1=CC=CC=C1C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl
InChI
InChI=1S/C17H15ClN2O4/c1-24-13-9-5-3-7-11(13)15-14(18)17(23)20(15)19-16(22)10-6-2-4-8-12(10)21/h2-9,14-15,21H,1H3,(H,19,22)
InChIKey
JLFHUGXYBUGWLP-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.07202 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07930 174.0
[M+Na]+ 369.06124 181.1
[M-H]- 345.06474 181.0
[M+NH4]+ 364.10584 179.4
[M+K]+ 385.03518 179.4
[M+H-H2O]+ 329.06928 160.0
[M+HCOO]- 391.07022 189.2
[M+CH3COO]- 405.08587 213.7
[M+Na-2H]- 367.04669 174.9
[M]+ 346.07147 185.3
[M]- 346.07257 185.3
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.