CID 482374

Chembl97759

Structural Information

Molecular Formula
C19H20N2O2
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)N2[C@@H](CC2=O)CC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2/c1-14(16-10-6-3-7-11-16)20-19(23)21-17(13-18(21)22)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,20,23)/t14-,17-/m1/s1
InChIKey
IHJQOIRUFRQAPK-RHSMWYFYSA-N
Compound name
(2R)-2-benzyl-4-oxo-N-[(1R)-1-phenylethyl]azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.15247 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 174.1
[M+Na]+ 331.141688 177.6
[M-H]- 307.145194 181.4
[M+NH4]+ 326.186293 180.1
[M+K]+ 347.115628 176.9
[M+H-H2O]+ 291.149730 158.6
[M+HCOO]- 353.150671 193.2
[M+CH3COO]- 367.166321 210.5
[M+Na-2H]- 329.127136 175.4
[M]+ 308.15192142 181.0
[M]- 308.15301858 181.0
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

No patent data available for this compound.