CID 15450026

149107-92-6

Structural Information

Molecular Formula
C20H21NO4
SMILES
CC(C)(OC)O[C@@H]1[C@@H](N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO4/c1-20(2,24-3)25-17-16(14-10-6-4-7-11-14)21(19(17)23)18(22)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3/t16-,17+/m0/s1
InChIKey
SVGIEMHCAPRHEZ-DLBZAZTESA-N
Compound name
(3R,4S)-1-benzoyl-3-(2-methoxypropan-2-yloxy)-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

339.14706 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.154336 177.6
[M+Na]+ 362.136278 182.7
[M-H]- 338.139784 185.4
[M+NH4]+ 357.180883 183.0
[M+K]+ 378.110218 183.2
[M+H-H2O]+ 322.144320 163.0
[M+HCOO]- 384.145261 195.2
[M+CH3COO]- 398.160911 214.0
[M+Na-2H]- 360.121726 179.7
[M]+ 339.14651142 188.9
[M]- 339.14760858 188.9
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