CID 97891

1,4-diphenyl-2-azetidinone

Structural Information

Molecular Formula
C15H13NO
SMILES
C1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H13NO/c17-15-11-14(12-7-3-1-4-8-12)16(15)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKey
HZVHFGGPXITZGN-UHFFFAOYSA-N
Compound name
1,4-diphenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

177
Patents

223.09972 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 144.1
[M+Na]+ 246.088938 151.3
[M-H]- 222.092444 152.3
[M+NH4]+ 241.133543 154.5
[M+K]+ 262.062878 150.1
[M+H-H2O]+ 206.096980 130.7
[M+HCOO]- 268.097921 165.6
[M+CH3COO]- 282.113571 192.5
[M+Na-2H]- 244.074386 150.3
[M]+ 223.09917142 151.3
[M]- 223.10026858 151.3
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