CID 374790

Nsc653035

Structural Information

Molecular Formula
C16H13ClN2O4
SMILES
C1=CC=C(C(=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C16H13ClN2O4/c17-13-14(9-5-7-10(20)8-6-9)19(16(13)23)18-15(22)11-3-1-2-4-12(11)21/h1-8,13-14,20-21H,(H,18,22)
InChIKey
UOGKILIVBHEGSL-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(4-hydroxyphenyl)-4-oxoazetidin-1-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.0564 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06368 170.5
[M+Na]+ 355.04562 177.7
[M-H]- 331.04912 176.4
[M+NH4]+ 350.09022 175.9
[M+K]+ 371.01956 175.4
[M+H-H2O]+ 315.05366 157.0
[M+HCOO]- 377.05460 184.6
[M+CH3COO]- 391.07025 208.7
[M+Na-2H]- 353.03107 171.5
[M]+ 332.05585 179.8
[M]- 332.05695 179.8
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

No patent data available for this compound.