CID 495065

Nsc643195

Structural Information

Molecular Formula
C17H15NO2
SMILES
C=CN1C(C(C1=O)OC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO2/c1-2-18-15(13-9-5-3-6-10-13)16(17(18)19)20-14-11-7-4-8-12-14/h2-12,15-16H,1H2
InChIKey
MOPAPKQYPNDGNF-UHFFFAOYSA-N
Compound name
1-ethenyl-3-phenoxy-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1103 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 156.0
[M+Na]+ 288.09952 163.1
[M-H]- 264.10302 164.1
[M+NH4]+ 283.14412 164.7
[M+K]+ 304.07346 161.6
[M+H-H2O]+ 248.10756 142.0
[M+HCOO]- 310.10850 177.1
[M+CH3COO]- 324.12415 200.7
[M+Na-2H]- 286.08497 160.2
[M]+ 265.10975 164.9
[M]- 265.11085 164.9
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.