CID 351226

1-(4-methoxyphenyl)-4-phenyl-2-azetidinone

Structural Information

Molecular Formula
C16H15NO2
SMILES
COC1=CC=C(C=C1)N2C(CC2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H15NO2/c1-19-14-9-7-13(8-10-14)17-15(11-16(17)18)12-5-3-2-4-6-12/h2-10,15H,11H2,1H3
InChIKey
KMVMYLUYRYWTSX-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.11028 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11756 152.2
[M+Na]+ 276.09950 159.5
[M-H]- 252.10300 160.5
[M+NH4]+ 271.14410 161.5
[M+K]+ 292.07344 158.8
[M+H-H2O]+ 236.10754 138.4
[M+HCOO]- 298.10848 173.5
[M+CH3COO]- 312.12413 198.5
[M+Na-2H]- 274.08495 157.0
[M]+ 253.10973 161.5
[M]- 253.11083 161.5
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