CID 27502

3,3-diphenyl-2-azetidinone

Structural Information

Molecular Formula
C15H13NO
SMILES
C1C(C(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C15H13NO/c17-14-15(11-16-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)
InChIKey
GGDFKZZHBPIWRA-UHFFFAOYSA-N
Compound name
3,3-diphenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 147.9
[M+Na]+ 246.088938 154.7
[M-H]- 222.092444 154.8
[M+NH4]+ 241.133543 159.3
[M+K]+ 262.062878 152.7
[M+H-H2O]+ 206.096980 135.1
[M+HCOO]- 268.097921 167.9
[M+CH3COO]- 282.113571 159.7
[M+Na-2H]- 244.074386 154.9
[M]+ 223.09917142 153.2
[M]- 223.10026858 153.2
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

patents stripe