CID 28391

17197-61-4

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]+ 238.122646 152.5
[M+Na]+ 260.104588 158.8
[M-H]- 236.108094 159.2
[M+NH4]+ 255.149193 163.3
[M+K]+ 276.078528 156.6
[M+H-H2O]+ 220.112630 139.5
[M+HCOO]- 282.113571 172.2
[M+CH3COO]- 296.129221 191.4
[M+Na-2H]- 258.090036 158.9
[M]+ 237.11482142 158.1
[M]- 237.11591858 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.