CID 373553

Nsc650006

Structural Information

Molecular Formula
C17H14Cl2N2O2
SMILES
C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H14Cl2N2O2/c18-13-9-5-4-8-12(13)16-15(19)17(23)21(16)20-14(22)10-11-6-2-1-3-7-11/h1-9,15-16H,10H2,(H,20,22)
InChIKey
PEIGGLUKUOJXLG-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.04324 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05052 171.0
[M+Na]+ 371.03246 179.0
[M-H]- 347.03596 178.0
[M+NH4]+ 366.07706 177.7
[M+K]+ 387.00640 175.1
[M+H-H2O]+ 331.04050 157.8
[M+HCOO]- 393.04144 182.6
[M+CH3COO]- 407.05709 214.4
[M+Na-2H]- 369.01791 172.5
[M]+ 348.04269 182.2
[M]- 348.04379 182.2
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.