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

0
Patents

223.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10700 147.9
[M+Na]+ 246.08894 154.7
[M-H]- 222.09244 154.8
[M+NH4]+ 241.13354 159.3
[M+K]+ 262.06288 152.7
[M+H-H2O]+ 206.09698 135.1
[M+HCOO]- 268.09792 167.9
[M+CH3COO]- 282.11357 159.7
[M+Na-2H]- 244.07439 154.9
[M]+ 223.09917 153.2
[M]- 223.10027 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