CID 373545

Nsc649998

Structural Information

Molecular Formula
C17H15ClN2O2
SMILES
C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3
InChI
InChI=1S/C17H15ClN2O2/c18-15-16(13-9-5-2-6-10-13)20(17(15)22)19-14(21)11-12-7-3-1-4-8-12/h1-10,15-16H,11H2,(H,19,21)
InChIKey
AMRYZKMLZXCTLW-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0822 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08948 167.4
[M+Na]+ 337.07142 174.0
[M-H]- 313.07492 175.0
[M+NH4]+ 332.11602 174.5
[M+K]+ 353.04536 171.3
[M+H-H2O]+ 297.07946 153.2
[M+HCOO]- 359.08040 183.9
[M+CH3COO]- 373.09605 209.2
[M+Na-2H]- 335.05687 170.1
[M]+ 314.08165 177.0
[M]- 314.08275 177.0
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.