CID 10969830

201856-53-3

Structural Information

Molecular Formula
C20H21NO4
SMILES
CCOC(C)O[C@@H]1[C@@H](N(C1=O)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H21NO4/c1-3-24-14(2)25-18-17(15-10-6-4-7-11-15)21(20(18)23)19(22)16-12-8-5-9-13-16/h4-14,17-18H,3H2,1-2H3/t14?,17-,18+/m0/s1
InChIKey
XSYLUBKWRZCOQP-CXRLMVSZSA-N
Compound name
(3R,4S)-1-benzoyl-3-(1-ethoxyethoxy)-4-phenylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

339.14706 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 179.3
[M+Na]+ 362.13628 187.9
[M+NH4]+ 357.18088 181.6
[M+K]+ 378.11022 183.5
[M-H]- 338.13978 180.3
[M+Na-2H]- 360.12173 184.0
[M]+ 339.14651 179.5
[M]- 339.14761 179.5
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