CID 469514

3-hydroxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one

Structural Information

Molecular Formula
C16H15NO3
SMILES
COC1=CC=C(C=C1)N2C(C(C2=O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H15NO3/c1-20-13-9-7-12(8-10-13)17-14(15(18)16(17)19)11-5-3-2-4-6-11/h2-10,14-15,18H,1H3
InChIKey
FTOHXQPVCMMHRO-UHFFFAOYSA-N
Compound name
3-hydroxy-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.1052 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 156.8
[M+Na]+ 292.09442 164.2
[M-H]- 268.09792 164.1
[M+NH4]+ 287.13902 164.9
[M+K]+ 308.06836 163.4
[M+H-H2O]+ 252.10246 143.1
[M+HCOO]- 314.10340 176.6
[M+CH3COO]- 328.11905 199.3
[M+Na-2H]- 290.07987 160.2
[M]+ 269.10465 166.0
[M]- 269.10575 166.0
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