CID 28391

3-benzyl-3-phenylazetidin-2-one

Structural Information

Molecular Formula
C16H15NO
SMILES
C1C(C(=O)N1)(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15NO/c18-15-16(12-17-15,14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,18)
InChIKey
MNAKQZFPMNVHMW-UHFFFAOYSA-N
Compound name
3-benzyl-3-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12265 152.5
[M+Na]+ 260.10459 158.8
[M-H]- 236.10809 159.2
[M+NH4]+ 255.14919 163.3
[M+K]+ 276.07853 156.6
[M+H-H2O]+ 220.11263 139.5
[M+HCOO]- 282.11357 172.2
[M+CH3COO]- 296.12922 191.4
[M+Na-2H]- 258.09004 158.9
[M]+ 237.11482 158.1
[M]- 237.11592 158.1
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.