CID 3735558

1-(diphenylmethyl)azetidin-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

1014
Patents

237.11537 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.122646 150.0
[M+Na]+ 260.104588 155.4
[M-H]- 236.108094 157.5
[M+NH4]+ 255.149193 159.3
[M+K]+ 276.078528 154.5
[M+H-H2O]+ 220.112630 136.0
[M+HCOO]- 282.113571 170.1
[M+CH3COO]- 296.129221 195.2
[M+Na-2H]- 258.090036 154.9
[M]+ 237.11482142 156.4
[M]- 237.11591858 156.4
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