CID 3735558

1-benzhydrylazetidin-3-one

Structural Information

Molecular Formula
C16H15NO
SMILES
C1C(=O)CN1C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKey
AVUDXLOVIBJFQA-UHFFFAOYSA-N
Compound name
1-benzhydrylazetidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

994
Patents

237.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12265 150.8
[M+Na]+ 260.10459 161.2
[M+NH4]+ 255.14919 155.9
[M+K]+ 276.07853 155.3
[M-H]- 236.10809 153.8
[M+Na-2H]- 258.09004 159.0
[M]+ 237.11482 152.0
[M]- 237.11592 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe