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]+ 309.15975 174.1
[M+Na]+ 331.14169 177.6
[M-H]- 307.14519 181.4
[M+NH4]+ 326.18629 180.1
[M+K]+ 347.11563 176.9
[M+H-H2O]+ 291.14973 158.6
[M+HCOO]- 353.15067 193.2
[M+CH3COO]- 367.16632 210.5
[M+Na-2H]- 329.12714 175.4
[M]+ 308.15192 181.0
[M]- 308.15302 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.