CID 496416

Nsc688884

Structural Information

Molecular Formula
C20H23NO4
SMILES
CC(C1=CC=CC=C1)N2C(C(C2=O)O)C(CO)OCC3=CC=CC=C3
InChI
InChI=1S/C20H23NO4/c1-14(16-10-6-3-7-11-16)21-18(19(23)20(21)24)17(12-22)25-13-15-8-4-2-5-9-15/h2-11,14,17-19,22-23H,12-13H2,1H3
InChIKey
OKJBLVRSSTUJEE-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(2-hydroxy-1-phenylmethoxyethyl)-1-(1-phenylethyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 181.2
[M+Na]+ 364.15194 184.3
[M-H]- 340.15544 185.9
[M+NH4]+ 359.19654 184.9
[M+K]+ 380.12588 183.7
[M+H-H2O]+ 324.15998 166.3
[M+HCOO]- 386.16092 196.1
[M+CH3COO]- 400.17657 211.2
[M+Na-2H]- 362.13739 180.1
[M]+ 341.16217 189.5
[M]- 341.16327 189.5
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

No patent data available for this compound.